N-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]adamantan-1-amine;N-[(5-cyclopropylfuran-3-yl)methyl]adamantan-1-amine;N-[(2-methyl-1,3-thiazol-5-yl)methyl]adamantan-1-amine;N-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine

C71H106N8O3S — CID 157488189

IUPACN-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]adamantan-1-amine;N-[(5-cyclopropylfuran-3-yl)methyl]adamantan-1-amine;N-[(2-methyl-1,3-thiazol-5-yl)methyl]adamantan-1-amine;N-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine
SMILESCC(C)(C)c1nc(CNC23CC4CC(CC(C4)C2)C3)co1.Cc1ncc(CNC23CC4CC(CC(C4)C2)C3)s1.c1c(CNC23CC4CC(CC(C4)C2)C3)noc1CN1CCCCC1.c1oc(C2CC2)cc1CNC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H31N3O.C18H28N2O.C18H25NO.C15H22N2S/c1-2-4-23(5-3-1)14-19-9-18(22-24-19)13-21-20-10-15-6-16(11-20)8-17(7-15)12-20;1-17(2,3)16-20-15(11-21-16)10-19-18-7-12-4-13(8-18)6-14(5-12)9-18;1-2-16(1)17-6-15(11-20-17)10-19-18-7-12-3-13(8-18)5-14(4-12)9-18;1-10-16-8-14(18-10)9-17-15-5-11-2-12(6-15)4-13(3-11)7-15/h9,15-17,21H,1-8,10-14H2;11-14,19H,4-10H2,1-3H3;6,11-14,16,19H,1-5,7-10H2;8,11-13,17H,2-7,9H2,1H3
InChIKeyBWYPAOICGLJQEH-UHFFFAOYSA-N
MW1151.75 g/mol
LogP15.47
Rot. Bonds15

About N-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]adamantan-1-amine;N-[(5-cyclopropylfuran-3-yl)methyl]adamantan-1-amine;N-[(2-methyl-1,3-thiazol-5-yl)methyl]adamantan-1-amine;N-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine

N-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]adamantan-1-amine;N-[(5-cyclopropylfuran-3-yl)methyl]adamantan-1-amine;N-[(2-methyl-1,3-thiazol-5-yl)methyl]adamantan-1-amine;N-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine (PubChem CID 157488189) has the molecular formula C71H106N8O3S and a molecular weight of 1151.75 g/mol. Its IUPAC name is N-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]adamantan-1-amine;N-[(5-cyclopropylfuran-3-yl)methyl]adamantan-1-amine;N-[(2-methyl-1,3-thiazol-5-yl)methyl]adamantan-1-amine;N-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine.

Molecular Properties

Compound NameN-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]adamantan-1-amine;N-[(5-cyclopropylfuran-3-yl)methyl]adamantan-1-amine;N-[(2-methyl-1,3-thiazol-5-yl)methyl]adamantan-1-amine;N-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine
PubChem CID157488189
Molecular FormulaC71H106N8O3S
Molecular Weight1151.75 g/mol
Exact Mass1150.81
IUPAC NameN-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]adamantan-1-amine;N-[(5-cyclopropylfuran-3-yl)methyl]adamantan-1-amine;N-[(2-methyl-1,3-thiazol-5-yl)methyl]adamantan-1-amine;N-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine
SMILESCC(C)(C)c1nc(CNC23CC4CC(CC(C4)C2)C3)co1.Cc1ncc(CNC23CC4CC(CC(C4)C2)C3)s1.c1c(CNC23CC4CC(CC(C4)C2)C3)noc1CN1CCCCC1.c1oc(C2CC2)cc1CNC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H31N3O.C18H28N2O.C18H25NO.C15H22N2S/c1-2-4-23(5-3-1)14-19-9-18(22-24-19)13-21-20-10-15-6-16(11-20)8-17(7-15)12-20;1-17(2,3)16-20-15(11-21-16)10-19-18-7-12-4-13(8-18)6-14(5-12)9-18;1-2-16(1)17-6-15(11-20-17)10-19-18-7-12-3-13(8-18)5-14(4-12)9-18;1-10-16-8-14(18-10)9-17-15-5-11-2-12(6-15)4-13(3-11)7-15/h9,15-17,21H,1-8,10-14H2;11-14,19H,4-10H2,1-3H3;6,11-14,16,19H,1-5,7-10H2;8,11-13,17H,2-7,9H2,1H3
InChIKeyBWYPAOICGLJQEH-UHFFFAOYSA-N
XLogP15.47
TPSA129.45 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms83
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001151.75
LogP ≤ 515.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze N-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]adamantan-1-amine;N-[(5-cyclopropylfuran-3-yl)methyl]adamantan-1-amine;N-[(2-methyl-1,3-thiazol-5-yl)methyl]adamantan-1-amine;N-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

bis(3-ethyl-5-propan-2-yl-1,2-oxazole);ethyl 5-propan-2-yl-1,2-oxazole-3-carboxylate;4-(1-fluoroethyl)-2-propan-2-ylfuran;2-methyl-5-propan-2-yl-1,3-oxazole;4-methyl-5-propan-2-yl-1,2-oxazole;2-methyl-5-propan-2-yl-3H-pyrrole;2-methyl-5-propan-2-yl-1,3-thiazole;3-phenyl-5-propan-2-yl-1,2-oxazole;4-phenyl-2-propan-2-yl-1,3-oxazole;bis(1-(5-propan-2-yl-1,2-oxazol-3-yl)ethanone);5-propan-2-yl-3-pyridin-2-yl-1,2-oxazole;2-propan-2-yl-5-pyridin-2-yl-1,3,4-thiadiazole;2-propan-2-yl-5-pyridin-3-yl-1,3,4-thiadiazole;4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-pyridin-2-one
CID 158890855
N-[(5-thiophen-3-ylfuran-3-yl)methyl]adamantan-1-amine;N-[(2-thiophen-2-yl-4H-imidazol-5-yl)methyl]adamantan-1-amine;N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]adamantan-1-amine;N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]adamantan-1-amine;N-[(2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]adamantan-1-amine;N-[(3-thiophen-2-yl-1,2-oxazol-5-yl)methyl]adamantan-1-amine;N-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]adamantan-1-amine
CID 158917350
N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]adamantan-1-amine;N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]adamantan-1-amine;N-[(2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]adamantan-1-amine;N-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]adamantan-1-amine
CID 159118324
N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]adamantan-1-amine;N-[(5-thiophen-3-ylfuran-3-yl)methyl]adamantan-1-amine;N-[(2-thiophen-2-yl-4H-imidazol-5-yl)methyl]adamantan-1-amine;N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]adamantan-1-amine;N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]adamantan-1-amine;N-[(2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]adamantan-1-amine;N-[(3-thiophen-2-yl-1,2-oxazol-5-yl)methyl]adamantan-1-amine;N-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]adamantan-1-amine
CID 160293307

Frequently Asked Questions

What is the IUPAC name of N-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]adamantan-1-amine;N-[(5-cyclopropylfuran-3-yl)methyl]adamantan-1-amine;N-[(2-methyl-1,3-thiazol-5-yl)methyl]adamantan-1-amine;N-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine?
The IUPAC name of N-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]adamantan-1-amine;N-[(5-cyclopropylfuran-3-yl)methyl]adamantan-1-amine;N-[(2-methyl-1,3-thiazol-5-yl)methyl]adamantan-1-amine;N-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine (CID 157488189) is N-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]adamantan-1-amine;N-[(5-cyclopropylfuran-3-yl)methyl]adamantan-1-amine;N-[(2-methyl-1,3-thiazol-5-yl)methyl]adamantan-1-amine;N-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine.
What is the SMILES notation for N-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]adamantan-1-amine;N-[(5-cyclopropylfuran-3-yl)methyl]adamantan-1-amine;N-[(2-methyl-1,3-thiazol-5-yl)methyl]adamantan-1-amine;N-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine?
The canonical SMILES for N-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]adamantan-1-amine;N-[(5-cyclopropylfuran-3-yl)methyl]adamantan-1-amine;N-[(2-methyl-1,3-thiazol-5-yl)methyl]adamantan-1-amine;N-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine is CC(C)(C)c1nc(CNC23CC4CC(CC(C4)C2)C3)co1.Cc1ncc(CNC23CC4CC(CC(C4)C2)C3)s1.c1c(CNC23CC4CC(CC(C4)C2)C3)noc1CN1CCCCC1.c1oc(C2CC2)cc1CNC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]adamantan-1-amine;N-[(5-cyclopropylfuran-3-yl)methyl]adamantan-1-amine;N-[(2-methyl-1,3-thiazol-5-yl)methyl]adamantan-1-amine;N-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine?
The InChIKey is BWYPAOICGLJQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O.C18H28N2O.C18H25NO.C15H22N2S/c1-2-4-23(5-3-1)14-19-9-18(22-24-19)13-21-20-10-15-6-16(11-20)8-17(7-15)12-20;1-17(2,3)16-20-15(11-21-16)10-19-18-7-12-4-13(8-18)6-14(5-12)9-18;1-2-16(1)17-6-15(11-20-17)10-19-18-7-12-3-13(8-18)5-14(4-12)9-18;1-10-16-8-14(18-10)9-17-15-5-11-2-12(6-15)4-13(3-11)7-15/h9,15-17,21H,1-8,10-14H2;11-14,19H,4-10H2,1-3H3;6,11-14,16,19H,1-5,7-10H2;8,11-13,17H,2-7,9H2,1H3.
What are the key properties of N-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]adamantan-1-amine;N-[(5-cyclopropylfuran-3-yl)methyl]adamantan-1-amine;N-[(2-methyl-1,3-thiazol-5-yl)methyl]adamantan-1-amine;N-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine?
N-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]adamantan-1-amine;N-[(5-cyclopropylfuran-3-yl)methyl]adamantan-1-amine;N-[(2-methyl-1,3-thiazol-5-yl)methyl]adamantan-1-amine;N-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine has a molecular weight of 1151.75 g/mol, XLogP of 15.47, 15 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]adamantan-1-amine;N-[(5-cyclopropylfuran-3-yl)methyl]adamantan-1-amine;N-[(2-methyl-1,3-thiazol-5-yl)methyl]adamantan-1-amine;N-[[5-(piperidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine is sourced from PubChem (CID 157488189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).