5-cyclopropyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,2-oxazole-3-carboxamide

C12H18N2O3 — CID 79252020

IUPAC5-cyclopropyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,2-oxazole-3-carboxamide
SMILESCC(C)[C@@H](CO)NC(=O)c1cc(C2CC2)on1
InChIInChI=1S/C12H18N2O3/c1-7(2)10(6-15)13-12(16)9-5-11(17-14-9)8-3-4-8/h5,7-8,10,15H,3-4,6H2,1-2H3,(H,13,16)/t10-/m1/s1
InChIKeyOLXXZJWBUVVRDU-SNVBAGLBSA-N
MW238.29 g/mol
LogP1.30
Rot. Bonds5

About 5-cyclopropyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,2-oxazole-3-carboxamide

5-cyclopropyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,2-oxazole-3-carboxamide (PubChem CID 79252020) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,2-oxazole-3-carboxamide
PubChem CID79252020
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name5-cyclopropyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,2-oxazole-3-carboxamide
SMILESCC(C)[C@@H](CO)NC(=O)c1cc(C2CC2)on1
InChIInChI=1S/C12H18N2O3/c1-7(2)10(6-15)13-12(16)9-5-11(17-14-9)8-3-4-8/h5,7-8,10,15H,3-4,6H2,1-2H3,(H,13,16)/t10-/m1/s1
InChIKeyOLXXZJWBUVVRDU-SNVBAGLBSA-N
XLogP1.30
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 6621450
5-cyclopropyl-N-(1-hydroxy-4-methoxybutan-2-yl)-1,2-oxazole-3-carboxamide
CID 114211248
2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]butanoic acid
CID 43469491
2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-hydroxybutanoic acid
CID 61243121
5-cyclopropyl-N-(2-hydroxy-1-piperidin-4-ylethyl)-1,2-oxazole-3-carboxamide
CID 130188178
5-cyclopropyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 113339620
5-cyclopropyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-1,2-oxazole-3-carboxamide
CID 113434991
3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4,4,4-trifluorobutanoic acid
CID 166241795
N-[1-(4-chlorophenyl)-2,2-dimethylpropyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 130187969
2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 82780615
5-cyclopropyl-N-methylsulfonyl-1,2-oxazole-3-carboxamide
CID 154774184
bis(5-cyclopropyl-1,2-oxazol-3-yl)methanone
CID 175316695

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,2-oxazole-3-carboxamide (CID 79252020) is 5-cyclopropyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,2-oxazole-3-carboxamide is CC(C)[C@@H](CO)NC(=O)c1cc(C2CC2)on1.
What is the InChIKey of 5-cyclopropyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is OLXXZJWBUVVRDU-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-7(2)10(6-15)13-12(16)9-5-11(17-14-9)8-3-4-8/h5,7-8,10,15H,3-4,6H2,1-2H3,(H,13,16)/t10-/m1/s1.
What are the key properties of 5-cyclopropyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,2-oxazole-3-carboxamide?
5-cyclopropyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 79252020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).