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

C10H8N2O3 — CID 91035756

IUPAC[4-(1,2-oxazol-3-yl)phenyl]carbamic acid
SMILESO=C(O)Nc1ccc(-c2ccon2)cc1
InChIInChI=1S/C10H8N2O3/c13-10(14)11-8-3-1-7(2-4-8)9-5-6-15-12-9/h1-6,11H,(H,13,14)
InChIKeyUTGKQBSJQDODPL-UHFFFAOYSA-N
MW204.19 g/mol
LogP2.43
Rot. Bonds2

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

[4-(1,2-oxazol-3-yl)phenyl]carbamic acid (PubChem CID 91035756) has the molecular formula C10H8N2O3 and a molecular weight of 204.19 g/mol. Its IUPAC name is [4-(1,2-oxazol-3-yl)phenyl]carbamic acid.

Molecular Properties

Compound Name[4-(1,2-oxazol-3-yl)phenyl]carbamic acid
PubChem CID91035756
Molecular FormulaC10H8N2O3
Molecular Weight204.19 g/mol
Exact Mass204.05
IUPAC Name[4-(1,2-oxazol-3-yl)phenyl]carbamic acid
SMILESO=C(O)Nc1ccc(-c2ccon2)cc1
InChIInChI=1S/C10H8N2O3/c13-10(14)11-8-3-1-7(2-4-8)9-5-6-15-12-9/h1-6,11H,(H,13,14)
InChIKeyUTGKQBSJQDODPL-UHFFFAOYSA-N
XLogP2.43
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-(1,2-oxazol-3-yl)aniline
CID 146602049
2-cyclopentyl-N-[4-(1,2-oxazol-3-yl)phenyl]pyrazole-3-carboxamide
CID 136566757
N-[4-(1,2-oxazol-3-yl)phenyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-3-carboxamide
CID 136566754
[4-[2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]phenyl]carbamic acid
CID 67519375
(1R,6S,7S)-7-hydroxy-8,8-dimethyl-N-[4-(1,2-oxazol-3-yl)phenyl]-2-azabicyclo[4.2.0]octane-2-carboxamide
CID 136585968
[4-(4-chlorosulfonylphenyl)phenyl]carbamic acid
CID 87188677
2-chloro-N-[3-(1,2-oxazol-3-yl)phenyl]acetamide
CID 166414612
[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]carbamic acid
CID 146291046
[4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)phenyl]carbamic acid
CID 21483705
3-[4-(2-fluoroprop-2-enyl)phenyl]-1,2-oxazole
CID 91350985
[4-[(2,2,2-trifluoroacetyl)amino]phenyl]carbamic acid
CID 18543052
2-(4-methylphenyl)-N-(1,2-oxazol-3-yl)quinoline-4-carboxamide
CID 17285283

Frequently Asked Questions

What is the IUPAC name of [4-(1,2-oxazol-3-yl)phenyl]carbamic acid?
The IUPAC name of [4-(1,2-oxazol-3-yl)phenyl]carbamic acid (CID 91035756) is [4-(1,2-oxazol-3-yl)phenyl]carbamic acid.
What is the SMILES notation for [4-(1,2-oxazol-3-yl)phenyl]carbamic acid?
The canonical SMILES for [4-(1,2-oxazol-3-yl)phenyl]carbamic acid is O=C(O)Nc1ccc(-c2ccon2)cc1.
What is the InChIKey of [4-(1,2-oxazol-3-yl)phenyl]carbamic acid?
The InChIKey is UTGKQBSJQDODPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c13-10(14)11-8-3-1-7(2-4-8)9-5-6-15-12-9/h1-6,11H,(H,13,14).
What are the key properties of [4-(1,2-oxazol-3-yl)phenyl]carbamic acid?
[4-(1,2-oxazol-3-yl)phenyl]carbamic acid has a molecular weight of 204.19 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,2-oxazol-3-yl)phenyl]carbamic acid is sourced from PubChem (CID 91035756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).