N-[(2R)-1-(cyclopropylmethylamino)-1-oxopropan-2-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide

C18H21N3O3 — CID 93140653

IUPACN-[(2R)-1-(cyclopropylmethylamino)-1-oxopropan-2-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N[C@H](C)C(=O)NCC3CC3)no2)cc1
InChIInChI=1S/C18H21N3O3/c1-11-3-7-14(8-4-11)16-9-15(21-24-16)18(23)20-12(2)17(22)19-10-13-5-6-13/h3-4,7-9,12-13H,5-6,10H2,1-2H3,(H,19,22)(H,20,23)/t12-/m1/s1
InChIKeyFVRIPJHFDPHDQU-GFCCVEGCSA-N
MW327.38 g/mol
LogP2.29
Rot. Bonds6

About N-[(2R)-1-(cyclopropylmethylamino)-1-oxopropan-2-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide

N-[(2R)-1-(cyclopropylmethylamino)-1-oxopropan-2-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 93140653) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[(2R)-1-(cyclopropylmethylamino)-1-oxopropan-2-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-(cyclopropylmethylamino)-1-oxopropan-2-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
PubChem CID93140653
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-[(2R)-1-(cyclopropylmethylamino)-1-oxopropan-2-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N[C@H](C)C(=O)NCC3CC3)no2)cc1
InChIInChI=1S/C18H21N3O3/c1-11-3-7-14(8-4-11)16-9-15(21-24-16)18(23)20-12(2)17(22)19-10-13-5-6-13/h3-4,7-9,12-13H,5-6,10H2,1-2H3,(H,19,22)(H,20,23)/t12-/m1/s1
InChIKeyFVRIPJHFDPHDQU-GFCCVEGCSA-N
XLogP2.29
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2R)-1-(cyclopropylmethylamino)-1-oxopropan-2-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2R)-1-(cyclopropylmethylamino)-1-oxopropan-2-yl]-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 93143963
N-[(2R)-1-(cyclopropylmethylamino)-3-methyl-1-oxobutan-2-yl]-5-(2,5-dimethylphenyl)-1,2-oxazole-3-carboxamide
CID 93144025
5-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 1093775
N-[(2S)-1-[2-(dimethylamino)ethylamino]-1-oxopropan-2-yl]-5-(3-methylphenyl)-1,2-oxazole-3-carboxamide
CID 93140630
N-[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 93139934
N-[1-(cyclopropylmethylamino)-1-oxo-3-phenylpropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 42821216
N-(cyclobutylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 33379552
5-methyl-N-[(2R)-1-oxo-1-[[(2R)-oxolan-2-yl]methylamino]propan-2-yl]-1,2-oxazole-3-carboxamide
CID 97478228
5-(4-methylphenyl)-N-(2-piperidin-1-ylpropyl)-1,2-oxazole-3-carboxamide
CID 45133089
5-(4-methylphenyl)-N-[1-(1-methylpyridin-1-ium-4-yl)ethyl]-1,2-oxazole-3-carboxamide iodide
CID 163408659
5-(4-cyclohexylphenyl)-N-[(2S)-1-methoxypropan-2-yl]-1,2-oxazole-3-carboxamide
CID 46087151
5-(4-methylphenyl)-N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-1,2-oxazole-3-carboxamide
CID 118984655

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(cyclopropylmethylamino)-1-oxopropan-2-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(2R)-1-(cyclopropylmethylamino)-1-oxopropan-2-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide (CID 93140653) is N-[(2R)-1-(cyclopropylmethylamino)-1-oxopropan-2-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(2R)-1-(cyclopropylmethylamino)-1-oxopropan-2-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(2R)-1-(cyclopropylmethylamino)-1-oxopropan-2-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide is Cc1ccc(-c2cc(C(=O)N[C@H](C)C(=O)NCC3CC3)no2)cc1.
What is the InChIKey of N-[(2R)-1-(cyclopropylmethylamino)-1-oxopropan-2-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is FVRIPJHFDPHDQU-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-11-3-7-14(8-4-11)16-9-15(21-24-16)18(23)20-12(2)17(22)19-10-13-5-6-13/h3-4,7-9,12-13H,5-6,10H2,1-2H3,(H,19,22)(H,20,23)/t12-/m1/s1.
What are the key properties of N-[(2R)-1-(cyclopropylmethylamino)-1-oxopropan-2-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide?
N-[(2R)-1-(cyclopropylmethylamino)-1-oxopropan-2-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(cyclopropylmethylamino)-1-oxopropan-2-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 93140653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).