N-[[5-(4-ethylphenyl)-1,2-oxazol-3-yl]methyl]tricyclo[3.3.1.03,7]nonan-3-amine

C21H26N2O — CID 118215714

IUPACN-[[5-(4-ethylphenyl)-1,2-oxazol-3-yl]methyl]tricyclo[3.3.1.03,7]nonan-3-amine
SMILESCCc1ccc(-c2cc(CNC34CC5CC(CC3C5)C4)no2)cc1
InChIInChI=1S/C21H26N2O/c1-2-14-3-5-17(6-4-14)20-10-19(23-24-20)13-22-21-11-15-7-16(12-21)9-18(21)8-15/h3-6,10,15-16,18,22H,2,7-9,11-13H2,1H3
InChIKeyASMLYWPKHZENGE-UHFFFAOYSA-N
MW322.45 g/mol
LogP4.57
Rot. Bonds5

About N-[[5-(4-ethylphenyl)-1,2-oxazol-3-yl]methyl]tricyclo[3.3.1.03,7]nonan-3-amine

N-[[5-(4-ethylphenyl)-1,2-oxazol-3-yl]methyl]tricyclo[3.3.1.03,7]nonan-3-amine (PubChem CID 118215714) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is N-[[5-(4-ethylphenyl)-1,2-oxazol-3-yl]methyl]tricyclo[3.3.1.03,7]nonan-3-amine.

Molecular Properties

Compound NameN-[[5-(4-ethylphenyl)-1,2-oxazol-3-yl]methyl]tricyclo[3.3.1.03,7]nonan-3-amine
PubChem CID118215714
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC NameN-[[5-(4-ethylphenyl)-1,2-oxazol-3-yl]methyl]tricyclo[3.3.1.03,7]nonan-3-amine
SMILESCCc1ccc(-c2cc(CNC34CC5CC(CC3C5)C4)no2)cc1
InChIInChI=1S/C21H26N2O/c1-2-14-3-5-17(6-4-14)20-10-19(23-24-20)13-22-21-11-15-7-16(12-21)9-18(21)8-15/h3-6,10,15-16,18,22H,2,7-9,11-13H2,1H3
InChIKeyASMLYWPKHZENGE-UHFFFAOYSA-N
XLogP4.57
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[5-(4-ethylphenyl)-1,2-oxazol-3-yl]methyl]tricyclo[3.3.1.03,7]nonan-3-amine with MolForge

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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
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
N-((5-phenylisoxazol-3-yl)methyl)adamantan-1-amine
CID 72734428
(1R,2R)-N-(1-phenylcyclobutyl)-2-(5-phenylisoxazol-3-yl)cyclopentanecarboxamide
CID 44555496
(1R,2R)-N-(1-phenylcyclopentyl)-2-(5-phenylisoxazol-3-yl)cyclopentanecarboxamide
CID 45487649
(1R,2R)-N-(1-phenylcyclohexyl)-2-(5-phenylisoxazol-3-yl)cyclopentanecarboxamide
CID 45487650
(1R,2R)-2-(5-phenylisoxazol-3-yl)-N-(2-phenylpropan-2-yl)cyclopentanecarboxamide
CID 45487662
(1R,2R)-N-(1-phenylcyclopropyl)-2-(5-phenylisoxazol-3-yl)cyclopentanecarboxamide
CID 45487669
5-(4-phenylphenyl)-N-(3-phenylpropyl)-1,2-oxazole-3-carboxamide
CID 56669955
1-(Adamant-1-ylmethyl)-3-{[5-(4-methylphenyl)isoxazol-3-yl]methyl}urea
CID 122195455

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-ethylphenyl)-1,2-oxazol-3-yl]methyl]tricyclo[3.3.1.03,7]nonan-3-amine?
The IUPAC name of N-[[5-(4-ethylphenyl)-1,2-oxazol-3-yl]methyl]tricyclo[3.3.1.03,7]nonan-3-amine (CID 118215714) is N-[[5-(4-ethylphenyl)-1,2-oxazol-3-yl]methyl]tricyclo[3.3.1.03,7]nonan-3-amine.
What is the SMILES notation for N-[[5-(4-ethylphenyl)-1,2-oxazol-3-yl]methyl]tricyclo[3.3.1.03,7]nonan-3-amine?
The canonical SMILES for N-[[5-(4-ethylphenyl)-1,2-oxazol-3-yl]methyl]tricyclo[3.3.1.03,7]nonan-3-amine is CCc1ccc(-c2cc(CNC34CC5CC(CC3C5)C4)no2)cc1.
What is the InChIKey of N-[[5-(4-ethylphenyl)-1,2-oxazol-3-yl]methyl]tricyclo[3.3.1.03,7]nonan-3-amine?
The InChIKey is ASMLYWPKHZENGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-2-14-3-5-17(6-4-14)20-10-19(23-24-20)13-22-21-11-15-7-16(12-21)9-18(21)8-15/h3-6,10,15-16,18,22H,2,7-9,11-13H2,1H3.
What are the key properties of N-[[5-(4-ethylphenyl)-1,2-oxazol-3-yl]methyl]tricyclo[3.3.1.03,7]nonan-3-amine?
N-[[5-(4-ethylphenyl)-1,2-oxazol-3-yl]methyl]tricyclo[3.3.1.03,7]nonan-3-amine has a molecular weight of 322.45 g/mol, XLogP of 4.57, 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]tricyclo[3.3.1.03,7]nonan-3-amine is sourced from PubChem (CID 118215714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).