(3R)-N-(5-methyl-1,2-oxazol-3-yl)oxolane-3-carboxamide

C9H12N2O3 — CID 27242204

IUPAC(3R)-N-(5-methyl-1,2-oxazol-3-yl)oxolane-3-carboxamide
SMILESCc1cc(NC(=O)[C@@H]2CCOC2)no1
InChIInChI=1S/C9H12N2O3/c1-6-4-8(11-14-6)10-9(12)7-2-3-13-5-7/h4,7H,2-3,5H2,1H3,(H,10,11,12)/t7-/m1/s1
InChIKeyJQLSGJALAAGRLA-SSDOTTSWSA-N
MW196.21 g/mol
LogP0.96
Rot. Bonds2

About (3R)-N-(5-methyl-1,2-oxazol-3-yl)oxolane-3-carboxamide

(3R)-N-(5-methyl-1,2-oxazol-3-yl)oxolane-3-carboxamide (PubChem CID 27242204) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is (3R)-N-(5-methyl-1,2-oxazol-3-yl)oxolane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(5-methyl-1,2-oxazol-3-yl)oxolane-3-carboxamide
PubChem CID27242204
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name(3R)-N-(5-methyl-1,2-oxazol-3-yl)oxolane-3-carboxamide
SMILESCc1cc(NC(=O)[C@@H]2CCOC2)no1
InChIInChI=1S/C9H12N2O3/c1-6-4-8(11-14-6)10-9(12)7-2-3-13-5-7/h4,7H,2-3,5H2,1H3,(H,10,11,12)/t7-/m1/s1
InChIKeyJQLSGJALAAGRLA-SSDOTTSWSA-N
XLogP0.96
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)oxane-4-carboxamide
CID 110690048
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]oxane-4-carboxamide
CID 113002379
N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]oxane-4-carboxamide
CID 112990399
1-methyl-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 110693557
1-N-(3,5-dimethylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1,4-dicarboxamide
CID 109150712
4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150357
N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]oxane-4-carboxamide
CID 113023357
1-N-cycloheptyl-4-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1,4-dicarboxamide
CID 109149703
N-(3,5-dimethylphenyl)oxolane-3-carboxamide
CID 47443287
N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 78983438
1-N,1-N-dimethyl-4-N-(5-methyl-1,2-oxazol-3-yl)piperidine-1,4-dicarboxamide
CID 47136046
(1S,2S,4R)-N-(5-methyl-1,2-oxazol-3-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 1205649

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(5-methyl-1,2-oxazol-3-yl)oxolane-3-carboxamide?
The IUPAC name of (3R)-N-(5-methyl-1,2-oxazol-3-yl)oxolane-3-carboxamide (CID 27242204) is (3R)-N-(5-methyl-1,2-oxazol-3-yl)oxolane-3-carboxamide.
What is the SMILES notation for (3R)-N-(5-methyl-1,2-oxazol-3-yl)oxolane-3-carboxamide?
The canonical SMILES for (3R)-N-(5-methyl-1,2-oxazol-3-yl)oxolane-3-carboxamide is Cc1cc(NC(=O)[C@@H]2CCOC2)no1.
What is the InChIKey of (3R)-N-(5-methyl-1,2-oxazol-3-yl)oxolane-3-carboxamide?
The InChIKey is JQLSGJALAAGRLA-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-6-4-8(11-14-6)10-9(12)7-2-3-13-5-7/h4,7H,2-3,5H2,1H3,(H,10,11,12)/t7-/m1/s1.
What are the key properties of (3R)-N-(5-methyl-1,2-oxazol-3-yl)oxolane-3-carboxamide?
(3R)-N-(5-methyl-1,2-oxazol-3-yl)oxolane-3-carboxamide has a molecular weight of 196.21 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(5-methyl-1,2-oxazol-3-yl)oxolane-3-carboxamide is sourced from PubChem (CID 27242204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).