3-methoxy-N-propan-2-yl-1,2-oxazole-5-carboxamide

C8H12N2O3 — CID 90573752

IUPAC3-methoxy-N-propan-2-yl-1,2-oxazole-5-carboxamide
SMILESCOc1cc(C(=O)NC(C)C)on1
InChIInChI=1S/C8H12N2O3/c1-5(2)9-8(11)6-4-7(12-3)10-13-6/h4-5H,1-3H3,(H,9,11)
InChIKeyCRKRJPZTVCLIEZ-UHFFFAOYSA-N
MW184.19 g/mol
LogP0.82
Rot. Bonds3

About 3-methoxy-N-propan-2-yl-1,2-oxazole-5-carboxamide

3-methoxy-N-propan-2-yl-1,2-oxazole-5-carboxamide (PubChem CID 90573752) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 3-methoxy-N-propan-2-yl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-propan-2-yl-1,2-oxazole-5-carboxamide
PubChem CID90573752
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name3-methoxy-N-propan-2-yl-1,2-oxazole-5-carboxamide
SMILESCOc1cc(C(=O)NC(C)C)on1
InChIInChI=1S/C8H12N2O3/c1-5(2)9-8(11)6-4-7(12-3)10-13-6/h4-5H,1-3H3,(H,9,11)
InChIKeyCRKRJPZTVCLIEZ-UHFFFAOYSA-N
XLogP0.82
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-[(2R)-octan-2-yl]-1,2-oxazole-5-carboxamide
CID 97353224
N-[(2S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-methoxy-1,2-oxazole-5-carboxamide
CID 99697784
5-(propan-2-ylcarbamoyl)-1,2-oxazole-3-carboxylic acid
CID 117218137
N-cyclopentyl-3-methoxy-1,2-oxazole-5-carboxamide
CID 90573780
2-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]acetic acid
CID 120513531
(E)-2-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]hex-4-enoic acid
CID 120693945
methyl 2-(3-methoxy-1,2-oxazol-5-yl)-2-oxoacetate
CID 15923592
3-methoxy-N,N-di(propan-2-yl)-1,2-oxazole-5-carboxamide
CID 90573695
3-tert-butyl-N-propan-2-yl-1,2-oxazole-5-carboxamide
CID 15692944
N-butyl-3-methoxy-1,2-oxazole-5-carboxamide
CID 90573751
3-methoxy-N-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide
CID 90573837
3-methoxy-N-(2,4,6-trimethylphenyl)-1,2-oxazole-5-carboxamide
CID 90573885

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-propan-2-yl-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-methoxy-N-propan-2-yl-1,2-oxazole-5-carboxamide (CID 90573752) is 3-methoxy-N-propan-2-yl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-methoxy-N-propan-2-yl-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-methoxy-N-propan-2-yl-1,2-oxazole-5-carboxamide is COc1cc(C(=O)NC(C)C)on1.
What is the InChIKey of 3-methoxy-N-propan-2-yl-1,2-oxazole-5-carboxamide?
The InChIKey is CRKRJPZTVCLIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-5(2)9-8(11)6-4-7(12-3)10-13-6/h4-5H,1-3H3,(H,9,11).
What are the key properties of 3-methoxy-N-propan-2-yl-1,2-oxazole-5-carboxamide?
3-methoxy-N-propan-2-yl-1,2-oxazole-5-carboxamide has a molecular weight of 184.19 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-propan-2-yl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 90573752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).