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

C18H24N2O — CID 102673114

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-phenylcyclohexan-1-amine
SMILESCc1nc(CNC2CCC(c3ccccc3)CC2)oc1C
InChIInChI=1S/C18H24N2O/c1-13-14(2)21-18(20-13)12-19-17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-7,16-17,19H,8-12H2,1-2H3
InChIKeyQXFVKDLOHLVBLY-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.11
Rot. Bonds4

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

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-phenylcyclohexan-1-amine (PubChem CID 102673114) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-phenylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-phenylcyclohexan-1-amine
PubChem CID102673114
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-phenylcyclohexan-1-amine
SMILESCc1nc(CNC2CCC(c3ccccc3)CC2)oc1C
InChIInChI=1S/C18H24N2O/c1-13-14(2)21-18(20-13)12-19-17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-7,16-17,19H,8-12H2,1-2H3
InChIKeyQXFVKDLOHLVBLY-UHFFFAOYSA-N
XLogP4.11
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Pentan-3-yl-5-(1-phenylethylamino)-1,3-oxazole-4-carbonitrile
CID 4700369
N-(3,3-diphenylpropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 7113431
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-(3-methylphenyl)piperidin-4-amine
CID 72001424
2-(2-Methylpropyl)-5-[(2-phenylethyl)amino]-1,3-oxazole-4-carbonitrile
CID 23889724
2-Methyl-5-[(2-phenylethyl)amino]-1,3-oxazole-4-carbonitrile
CID 33970425
(1S)-1-cyclopropyl-1-(2,5-difluorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 97335851
3-[4-[(1S)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]ethyl]phenyl]benzonitrile
CID 124256001
(1S,2R,5S)-5-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)-2-(2,4,5-trifluorophenyl)cyclohexan-1-amine
CID 24861590
trans-(1S,5S)-5-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)-2-(2,4,5-trifluorophenyl)cyclohexan-1-amine
CID 57931354
trans-(2R,5S)-5-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)-2-(2,4,5-trifluorophenyl)cyclohexan-1-amine
CID 70311648
4-(2,2-Diphenylethenyl)-5-methyl-2-(propan-2-yl)-1,3-oxazole
CID 71417629
N-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-3-(4-fluorophenyl)-3-phenylpropanamide
CID 46985463

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-phenylcyclohexan-1-amine?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-phenylcyclohexan-1-amine (CID 102673114) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-phenylcyclohexan-1-amine.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-phenylcyclohexan-1-amine?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-phenylcyclohexan-1-amine is Cc1nc(CNC2CCC(c3ccccc3)CC2)oc1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-phenylcyclohexan-1-amine?
The InChIKey is QXFVKDLOHLVBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-13-14(2)21-18(20-13)12-19-17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-7,16-17,19H,8-12H2,1-2H3.
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-phenylcyclohexan-1-amine?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-phenylcyclohexan-1-amine has a molecular weight of 284.40 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-phenylcyclohexan-1-amine is sourced from PubChem (CID 102673114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).