N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]adamantan-1-amine;N-[[4-(furan-2-yl)phenyl]methyl]adamantan-1-amine;N-[[4-(5-methylfuran-2-yl)phenyl]methyl]adamantan-1-amine

C65H80N4O3 — CID 161357779

IUPACN-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]adamantan-1-amine;N-[[4-(furan-2-yl)phenyl]methyl]adamantan-1-amine;N-[[4-(5-methylfuran-2-yl)phenyl]methyl]adamantan-1-amine
SMILESCc1ccc(-c2ccc(CNC34CC5CC(CC(C5)C3)C4)cc2)o1.Cc1noc(C)c1-c1ccc(CNC23CC4CC(CC(C4)C2)C3)cc1.c1coc(-c2ccc(CNC34CC5CC(CC(C5)C3)C4)cc2)c1
InChIInChI=1S/C22H28N2O.C22H27NO.C21H25NO/c1-14-21(15(2)25-24-14)20-5-3-16(4-6-20)13-23-22-10-17-7-18(11-22)9-19(8-17)12-22;1-15-2-7-21(24-15)20-5-3-16(4-6-20)14-23-22-11-17-8-18(12-22)10-19(9-17)13-22;1-2-20(23-7-1)19-5-3-15(4-6-19)14-22-21-11-16-8-17(12-21)10-18(9-16)13-21/h3-6,17-19,23H,7-13H2,1-2H3;2-7,17-19,23H,8-14H2,1H3;1-7,16-18,22H,8-14H2
InChIKeyVOTRNJXSVNCCBM-UHFFFAOYSA-N
MW965.38 g/mol
LogP15.34
Rot. Bonds12

About N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]adamantan-1-amine;N-[[4-(furan-2-yl)phenyl]methyl]adamantan-1-amine;N-[[4-(5-methylfuran-2-yl)phenyl]methyl]adamantan-1-amine

N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]adamantan-1-amine;N-[[4-(furan-2-yl)phenyl]methyl]adamantan-1-amine;N-[[4-(5-methylfuran-2-yl)phenyl]methyl]adamantan-1-amine (PubChem CID 161357779) has the molecular formula C65H80N4O3 and a molecular weight of 965.38 g/mol. Its IUPAC name is N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]adamantan-1-amine;N-[[4-(furan-2-yl)phenyl]methyl]adamantan-1-amine;N-[[4-(5-methylfuran-2-yl)phenyl]methyl]adamantan-1-amine.

Molecular Properties

Compound NameN-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]adamantan-1-amine;N-[[4-(furan-2-yl)phenyl]methyl]adamantan-1-amine;N-[[4-(5-methylfuran-2-yl)phenyl]methyl]adamantan-1-amine
PubChem CID161357779
Molecular FormulaC65H80N4O3
Molecular Weight965.38 g/mol
Exact Mass964.62
IUPAC NameN-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]adamantan-1-amine;N-[[4-(furan-2-yl)phenyl]methyl]adamantan-1-amine;N-[[4-(5-methylfuran-2-yl)phenyl]methyl]adamantan-1-amine
SMILESCc1ccc(-c2ccc(CNC34CC5CC(CC(C5)C3)C4)cc2)o1.Cc1noc(C)c1-c1ccc(CNC23CC4CC(CC(C4)C2)C3)cc1.c1coc(-c2ccc(CNC34CC5CC(CC(C5)C3)C4)cc2)c1
InChIInChI=1S/C22H28N2O.C22H27NO.C21H25NO/c1-14-21(15(2)25-24-14)20-5-3-16(4-6-20)13-23-22-10-17-7-18(11-22)9-19(8-17)12-22;1-15-2-7-21(24-15)20-5-3-16(4-6-20)14-23-22-11-17-8-18(12-22)10-19(9-17)13-22;1-2-20(23-7-1)19-5-3-15(4-6-19)14-22-21-11-16-8-17(12-21)10-18(9-16)13-21/h3-6,17-19,23H,7-13H2,1-2H3;2-7,17-19,23H,8-14H2,1H3;1-7,16-18,22H,8-14H2
InChIKeyVOTRNJXSVNCCBM-UHFFFAOYSA-N
XLogP15.34
TPSA88.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500965.38
LogP ≤ 515.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]adamantan-1-amine;N-[[4-(furan-2-yl)phenyl]methyl]adamantan-1-amine;N-[[4-(5-methylfuran-2-yl)phenyl]methyl]adamantan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]adamantan-1-amine;N-[[4-(furan-2-yl)phenyl]methyl]adamantan-1-amine;N-[[4-(5-methylfuran-2-yl)phenyl]methyl]adamantan-1-amine?
The IUPAC name of N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]adamantan-1-amine;N-[[4-(furan-2-yl)phenyl]methyl]adamantan-1-amine;N-[[4-(5-methylfuran-2-yl)phenyl]methyl]adamantan-1-amine (CID 161357779) is N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]adamantan-1-amine;N-[[4-(furan-2-yl)phenyl]methyl]adamantan-1-amine;N-[[4-(5-methylfuran-2-yl)phenyl]methyl]adamantan-1-amine.
What is the SMILES notation for N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]adamantan-1-amine;N-[[4-(furan-2-yl)phenyl]methyl]adamantan-1-amine;N-[[4-(5-methylfuran-2-yl)phenyl]methyl]adamantan-1-amine?
The canonical SMILES for N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]adamantan-1-amine;N-[[4-(furan-2-yl)phenyl]methyl]adamantan-1-amine;N-[[4-(5-methylfuran-2-yl)phenyl]methyl]adamantan-1-amine is Cc1ccc(-c2ccc(CNC34CC5CC(CC(C5)C3)C4)cc2)o1.Cc1noc(C)c1-c1ccc(CNC23CC4CC(CC(C4)C2)C3)cc1.c1coc(-c2ccc(CNC34CC5CC(CC(C5)C3)C4)cc2)c1.
What is the InChIKey of N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]adamantan-1-amine;N-[[4-(furan-2-yl)phenyl]methyl]adamantan-1-amine;N-[[4-(5-methylfuran-2-yl)phenyl]methyl]adamantan-1-amine?
The InChIKey is VOTRNJXSVNCCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O.C22H27NO.C21H25NO/c1-14-21(15(2)25-24-14)20-5-3-16(4-6-20)13-23-22-10-17-7-18(11-22)9-19(8-17)12-22;1-15-2-7-21(24-15)20-5-3-16(4-6-20)14-23-22-11-17-8-18(12-22)10-19(9-17)13-22;1-2-20(23-7-1)19-5-3-15(4-6-19)14-22-21-11-16-8-17(12-21)10-18(9-16)13-21/h3-6,17-19,23H,7-13H2,1-2H3;2-7,17-19,23H,8-14H2,1H3;1-7,16-18,22H,8-14H2.
What are the key properties of N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]adamantan-1-amine;N-[[4-(furan-2-yl)phenyl]methyl]adamantan-1-amine;N-[[4-(5-methylfuran-2-yl)phenyl]methyl]adamantan-1-amine?
N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]adamantan-1-amine;N-[[4-(furan-2-yl)phenyl]methyl]adamantan-1-amine;N-[[4-(5-methylfuran-2-yl)phenyl]methyl]adamantan-1-amine has a molecular weight of 965.38 g/mol, XLogP of 15.34, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]adamantan-1-amine;N-[[4-(furan-2-yl)phenyl]methyl]adamantan-1-amine;N-[[4-(5-methylfuran-2-yl)phenyl]methyl]adamantan-1-amine is sourced from PubChem (CID 161357779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).