N-[[5-(4-ethylphenyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine

C22H28N2O — CID 118215728

IUPACN-[[5-(4-ethylphenyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine
SMILESCCc1ccc(-c2cc(CNC34CC5CC(CC(C5)C3)C4)no2)cc1
InChIInChI=1S/C22H28N2O/c1-2-15-3-5-19(6-4-15)21-10-20(24-25-21)14-23-22-11-16-7-17(12-22)9-18(8-16)13-22/h3-6,10,16-18,23H,2,7-9,11-14H2,1H3
InChIKeyMEKUMPIMEGCSEI-UHFFFAOYSA-N
MW336.48 g/mol
LogP4.96
Rot. Bonds5

About N-[[5-(4-ethylphenyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine

N-[[5-(4-ethylphenyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine (PubChem CID 118215728) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is N-[[5-(4-ethylphenyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine.

Molecular Properties

Compound NameN-[[5-(4-ethylphenyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine
PubChem CID118215728
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC NameN-[[5-(4-ethylphenyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine
SMILESCCc1ccc(-c2cc(CNC34CC5CC(CC(C5)C3)C4)no2)cc1
InChIInChI=1S/C22H28N2O/c1-2-15-3-5-19(6-4-15)21-10-20(24-25-21)14-23-22-11-16-7-17(12-22)9-18(8-16)13-22/h3-6,10,16-18,23H,2,7-9,11-14H2,1H3
InChIKeyMEKUMPIMEGCSEI-UHFFFAOYSA-N
XLogP4.96
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 1093781
N-cyclohexyl-5-(4-methylphenyl)-3-isoxazolecarboxamide
CID 1093785
N-cyclohexyl-N-methyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 1093791
N-(3-acetylphenyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 973882
3,5-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2-oxazole
CID 16658984
3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2-oxazole
CID 16659118
(3S,6S)-4-(5-(4-fluorophenyl)isoxazole-3-carbonyl)-3-isobutyl-6-(p-tolyl)piperazin-2-one
CID 68158109
N-((5-phenylisoxazol-3-yl)methyl)adamantan-1-amine
CID 72734428
N-[(5-cyclohexyl-1,2-oxazol-3-yl)methyl]adamantan-1-amine
CID 89615638
N-cyclohexyl-5-phenyl-1,2-oxazole-3-carboxamide
CID 1093740
N-(1-adamantyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 24531721
(1R,2R)-N-(1-phenylcyclohexyl)-2-(5-phenylisoxazol-3-yl)cyclopentanecarboxamide
CID 45487650

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-ethylphenyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine?
The IUPAC name of N-[[5-(4-ethylphenyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine (CID 118215728) is N-[[5-(4-ethylphenyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine.
What is the SMILES notation for N-[[5-(4-ethylphenyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine?
The canonical SMILES for N-[[5-(4-ethylphenyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine is CCc1ccc(-c2cc(CNC34CC5CC(CC(C5)C3)C4)no2)cc1.
What is the InChIKey of N-[[5-(4-ethylphenyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine?
The InChIKey is MEKUMPIMEGCSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O/c1-2-15-3-5-19(6-4-15)21-10-20(24-25-21)14-23-22-11-16-7-17(12-22)9-18(8-16)13-22/h3-6,10,16-18,23H,2,7-9,11-14H2,1H3.
What are the key properties of N-[[5-(4-ethylphenyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine?
N-[[5-(4-ethylphenyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine has a molecular weight of 336.48 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-ethylphenyl)-1,2-oxazol-3-yl]methyl]adamantan-1-amine is sourced from PubChem (CID 118215728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).