N-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]adamantan-1-amine

C20H30N2O — CID 127027540

IUPACN-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]adamantan-1-amine
SMILESc1c(C2CCCCC2)noc1CNC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H30N2O/c1-2-4-17(5-3-1)19-9-18(23-22-19)13-21-20-10-14-6-15(11-20)8-16(7-14)12-20/h9,14-17,21H,1-8,10-13H2
InChIKeyXHSRJDMEFDJWPI-UHFFFAOYSA-N
MW314.47 g/mol
LogP4.78
Rot. Bonds4

About N-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]adamantan-1-amine

N-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]adamantan-1-amine (PubChem CID 127027540) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is N-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]adamantan-1-amine.

Molecular Properties

Compound NameN-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]adamantan-1-amine
PubChem CID127027540
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC NameN-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]adamantan-1-amine
SMILESc1c(C2CCCCC2)noc1CNC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H30N2O/c1-2-4-17(5-3-1)19-9-18(23-22-19)13-21-20-10-14-6-15(11-20)8-16(7-14)12-20/h9,14-17,21H,1-8,10-13H2
InChIKeyXHSRJDMEFDJWPI-UHFFFAOYSA-N
XLogP4.78
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-cyclobutyl-1,2-oxazol-5-yl)-N-methylmethanamine
CID 83845888
N-[(3-hexa-1,3,5-trienyl-1,2-oxazol-5-yl)methyl]adamantan-1-amine
CID 123180307
2-(3-cyclopentyl-1,2-oxazol-5-yl)ethanamine
CID 82408902
3-cyclohexyl-5-cyclopropyl-1,2-oxazole
CID 154245938
2-(3-cyclobutyl-1,2-oxazol-5-yl)ethanamine
CID 83845883
N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-1-(furan-2-yl)methanamine
CID 146137708
N-[(5-iodofuran-2-yl)methyl]adamantan-1-amine
CID 43756966
N-[[5-(4-ethylphenyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine
CID 118215728
5-chloro-3-cyclopentyl-1,2-oxazole
CID 80645479
9-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecan-1-one;formic acid
CID 172909889
1-(3-cycloheptyl-1,2-oxazol-5-yl)butan-1-amine
CID 114160497
N-[(4-trimethylsilylphenyl)methyl]adamantan-1-amine
CID 71609932

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]adamantan-1-amine?
The IUPAC name of N-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]adamantan-1-amine (CID 127027540) is N-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]adamantan-1-amine.
What is the SMILES notation for N-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]adamantan-1-amine?
The canonical SMILES for N-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]adamantan-1-amine is c1c(C2CCCCC2)noc1CNC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]adamantan-1-amine?
The InChIKey is XHSRJDMEFDJWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O/c1-2-4-17(5-3-1)19-9-18(23-22-19)13-21-20-10-14-6-15(11-20)8-16(7-14)12-20/h9,14-17,21H,1-8,10-13H2.
What are the key properties of N-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]adamantan-1-amine?
N-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]adamantan-1-amine has a molecular weight of 314.47 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]adamantan-1-amine is sourced from PubChem (CID 127027540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).