5-cyclopropyl-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-3-methyl-1,2-oxazole-4-carboxamide

C12H18N2O4 — CID 138023755

IUPAC5-cyclopropyl-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-3-methyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C2CC2)c1C(=O)N[C@H](CO)[C@@H](C)O
InChIInChI=1S/C12H18N2O4/c1-6-10(11(18-14-6)8-3-4-8)12(17)13-9(5-15)7(2)16/h7-9,15-16H,3-5H2,1-2H3,(H,13,17)/t7-,9-/m1/s1
InChIKeyQAAUZIRJOSYHTL-VXNVDRBHSA-N
MW254.29 g/mol
LogP0.33
Rot. Bonds5

About 5-cyclopropyl-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-3-methyl-1,2-oxazole-4-carboxamide

5-cyclopropyl-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-3-methyl-1,2-oxazole-4-carboxamide (PubChem CID 138023755) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-3-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-3-methyl-1,2-oxazole-4-carboxamide
PubChem CID138023755
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name5-cyclopropyl-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-3-methyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C2CC2)c1C(=O)N[C@H](CO)[C@@H](C)O
InChIInChI=1S/C12H18N2O4/c1-6-10(11(18-14-6)8-3-4-8)12(17)13-9(5-15)7(2)16/h7-9,15-16H,3-5H2,1-2H3,(H,13,17)/t7-,9-/m1/s1
InChIKeyQAAUZIRJOSYHTL-VXNVDRBHSA-N
XLogP0.33
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-cyclopropyl-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-3-methyl-1,2-oxazole-4-carboxamide with MolForge

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Related Compounds

N-(4-hydroxy-3-methylbutan-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 115770862
2-cyclopropyl-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]pyrimidine-4-carboxamide
CID 138023749
5-cyclopropyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,2-oxazole-3-carboxamide
CID 79252020
3-ethyl-N-(1-hydroxy-3-methylbutan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 79255223
methyl 2-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)acetate
CID 162373149
3-methyl-5-pyrrolidin-3-yl-1,2-oxazole-4-carboxylic acid
CID 105449750
3,5-dimethyl-N-(1-piperidin-3-ylethyl)-1,2-oxazole-4-carboxamide;hydrochloride
CID 119473975
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide
CID 79252751
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-(1-hydroxypropan-2-yl)urea
CID 111439093
ethyl 2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]propanoate
CID 54960600
N-(2-cyclopropyl-2-hydroxyethyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 63294569
N-[(1R)-2-hydroxy-1-phenylethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 103944578

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-3-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-3-methyl-1,2-oxazole-4-carboxamide (CID 138023755) is 5-cyclopropyl-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-3-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-3-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-3-methyl-1,2-oxazole-4-carboxamide is Cc1noc(C2CC2)c1C(=O)N[C@H](CO)[C@@H](C)O.
What is the InChIKey of 5-cyclopropyl-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-3-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is QAAUZIRJOSYHTL-VXNVDRBHSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-6-10(11(18-14-6)8-3-4-8)12(17)13-9(5-15)7(2)16/h7-9,15-16H,3-5H2,1-2H3,(H,13,17)/t7-,9-/m1/s1.
What are the key properties of 5-cyclopropyl-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-3-methyl-1,2-oxazole-4-carboxamide?
5-cyclopropyl-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-3-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 254.29 g/mol, XLogP of 0.33, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-3-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 138023755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).