[4-methoxy-2-[2-(1,3-oxazol-4-yl)-2-oxoethyl]phenyl]carbamic acid

C13H12N2O5 — CID 67772538

IUPAC[4-methoxy-2-[2-(1,3-oxazol-4-yl)-2-oxoethyl]phenyl]carbamic acid
SMILESCOc1ccc(NC(=O)O)c(CC(=O)c2cocn2)c1
InChIInChI=1S/C13H12N2O5/c1-19-9-2-3-10(15-13(17)18)8(4-9)5-12(16)11-6-20-7-14-11/h2-4,6-7,15H,5H2,1H3,(H,17,18)
InChIKeyCHNLZCGRQNZXDR-UHFFFAOYSA-N
MW276.25 g/mol
LogP2.20
Rot. Bonds5

About [4-methoxy-2-[2-(1,3-oxazol-4-yl)-2-oxoethyl]phenyl]carbamic acid

[4-methoxy-2-[2-(1,3-oxazol-4-yl)-2-oxoethyl]phenyl]carbamic acid (PubChem CID 67772538) has the molecular formula C13H12N2O5 and a molecular weight of 276.25 g/mol. Its IUPAC name is [4-methoxy-2-[2-(1,3-oxazol-4-yl)-2-oxoethyl]phenyl]carbamic acid.

Molecular Properties

Compound Name[4-methoxy-2-[2-(1,3-oxazol-4-yl)-2-oxoethyl]phenyl]carbamic acid
PubChem CID67772538
Molecular FormulaC13H12N2O5
Molecular Weight276.25 g/mol
Exact Mass276.07
IUPAC Name[4-methoxy-2-[2-(1,3-oxazol-4-yl)-2-oxoethyl]phenyl]carbamic acid
SMILESCOc1ccc(NC(=O)O)c(CC(=O)c2cocn2)c1
InChIInChI=1S/C13H12N2O5/c1-19-9-2-3-10(15-13(17)18)8(4-9)5-12(16)11-6-20-7-14-11/h2-4,6-7,15H,5H2,1H3,(H,17,18)
InChIKeyCHNLZCGRQNZXDR-UHFFFAOYSA-N
XLogP2.20
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[4-methoxy-2-[2-(1,3-oxazol-4-yl)-2-oxoethyl]phenyl]carbamate
CID 67684710
N-(2,4-dimethoxyphenyl)-1,3-oxazole-4-carboxamide
CID 110689577
(2-amino-4-methoxyphenyl)carbamic acid
CID 22317519
(2,4-dimethoxyphenyl)methyl N-(1,3-oxazol-4-yl)carbamate
CID 86687690
N-(5-chloro-2-methylphenyl)-1,3-oxazole-4-carboxamide
CID 110689561
1-(diaminomethylidene)-3-(2-ethyl-4-methoxyphenyl)urea
CID 20543767
methyl 2-(5-methoxy-2-methylphenyl)acetate
CID 170997183
2-amino-N-(2-ethyl-4-methoxyphenyl)-1H-imidazole-5-carboxamide
CID 141271018
(2-methyl-4-propoxyphenyl)carbamic acid
CID 118108315
5-methoxy-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid
CID 78980914
N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-methoxyphenyl]propanamide
CID 126588571
dimethyl 2-(1,3-oxazole-4-carbonylamino)benzene-1,4-dicarboxylate
CID 110689637

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-2-[2-(1,3-oxazol-4-yl)-2-oxoethyl]phenyl]carbamic acid?
The IUPAC name of [4-methoxy-2-[2-(1,3-oxazol-4-yl)-2-oxoethyl]phenyl]carbamic acid (CID 67772538) is [4-methoxy-2-[2-(1,3-oxazol-4-yl)-2-oxoethyl]phenyl]carbamic acid.
What is the SMILES notation for [4-methoxy-2-[2-(1,3-oxazol-4-yl)-2-oxoethyl]phenyl]carbamic acid?
The canonical SMILES for [4-methoxy-2-[2-(1,3-oxazol-4-yl)-2-oxoethyl]phenyl]carbamic acid is COc1ccc(NC(=O)O)c(CC(=O)c2cocn2)c1.
What is the InChIKey of [4-methoxy-2-[2-(1,3-oxazol-4-yl)-2-oxoethyl]phenyl]carbamic acid?
The InChIKey is CHNLZCGRQNZXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O5/c1-19-9-2-3-10(15-13(17)18)8(4-9)5-12(16)11-6-20-7-14-11/h2-4,6-7,15H,5H2,1H3,(H,17,18).
What are the key properties of [4-methoxy-2-[2-(1,3-oxazol-4-yl)-2-oxoethyl]phenyl]carbamic acid?
[4-methoxy-2-[2-(1,3-oxazol-4-yl)-2-oxoethyl]phenyl]carbamic acid has a molecular weight of 276.25 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-2-[2-(1,3-oxazol-4-yl)-2-oxoethyl]phenyl]carbamic acid is sourced from PubChem (CID 67772538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).