N-(3-aminocyclohexyl)-2-phenyl-1,3-oxazole-4-carboxamide

C16H19N3O2 — CID 155298542

IUPACN-(3-aminocyclohexyl)-2-phenyl-1,3-oxazole-4-carboxamide
SMILESNC1CCCC(NC(=O)c2coc(-c3ccccc3)n2)C1
InChIInChI=1S/C16H19N3O2/c17-12-7-4-8-13(9-12)18-15(20)14-10-21-16(19-14)11-5-2-1-3-6-11/h1-3,5-6,10,12-13H,4,7-9,17H2,(H,18,20)
InChIKeyDSHVCGYPSSBWGB-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.34
Rot. Bonds3

About N-(3-aminocyclohexyl)-2-phenyl-1,3-oxazole-4-carboxamide

N-(3-aminocyclohexyl)-2-phenyl-1,3-oxazole-4-carboxamide (PubChem CID 155298542) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-(3-aminocyclohexyl)-2-phenyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-aminocyclohexyl)-2-phenyl-1,3-oxazole-4-carboxamide
PubChem CID155298542
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-(3-aminocyclohexyl)-2-phenyl-1,3-oxazole-4-carboxamide
SMILESNC1CCCC(NC(=O)c2coc(-c3ccccc3)n2)C1
InChIInChI=1S/C16H19N3O2/c17-12-7-4-8-13(9-12)18-15(20)14-10-21-16(19-14)11-5-2-1-3-6-11/h1-3,5-6,10,12-13H,4,7-9,17H2,(H,18,20)
InChIKeyDSHVCGYPSSBWGB-UHFFFAOYSA-N
XLogP2.34
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-aminophenyl)-N-cyclobutyl-1,3-oxazole-4-carboxamide
CID 3871183
2-phenyl-N-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 119390406
N-(2-methylpiperidin-4-yl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 120598684
N-[(1S,3R)-3-aminocyclohexyl]benzamide
CID 70821895
N-cyclododecyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
CID 84557279
N-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 75202956
N-(2-amino-1-cyclopropylethyl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 119617767
cyclopropylmethyl 2-phenyl-1,3-oxazole-4-carboxylate
CID 71452942
2-amino-N-cyclohexyl-1,3-oxazole-4-carboxamide
CID 110848950
2-phenyl-N-(2-pyrrolidin-3-ylethyl)-1,3-oxazole-4-carboxamide
CID 119538139
[3-(methylamino)piperidin-1-yl]-(2-phenyl-1,3-oxazol-4-yl)methanone;hydrochloride
CID 119493804
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2-phenyl-1,3-oxazol-4-yl)methanone
CID 119625411

Frequently Asked Questions

What is the IUPAC name of N-(3-aminocyclohexyl)-2-phenyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(3-aminocyclohexyl)-2-phenyl-1,3-oxazole-4-carboxamide (CID 155298542) is N-(3-aminocyclohexyl)-2-phenyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(3-aminocyclohexyl)-2-phenyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(3-aminocyclohexyl)-2-phenyl-1,3-oxazole-4-carboxamide is NC1CCCC(NC(=O)c2coc(-c3ccccc3)n2)C1.
What is the InChIKey of N-(3-aminocyclohexyl)-2-phenyl-1,3-oxazole-4-carboxamide?
The InChIKey is DSHVCGYPSSBWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c17-12-7-4-8-13(9-12)18-15(20)14-10-21-16(19-14)11-5-2-1-3-6-11/h1-3,5-6,10,12-13H,4,7-9,17H2,(H,18,20).
What are the key properties of N-(3-aminocyclohexyl)-2-phenyl-1,3-oxazole-4-carboxamide?
N-(3-aminocyclohexyl)-2-phenyl-1,3-oxazole-4-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminocyclohexyl)-2-phenyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 155298542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).