(3-oxo-1,2-oxazol-5-yl)methylcarbamic acid

C5H6N2O4 — CID 174238438

IUPAC(3-oxo-1,2-oxazol-5-yl)methylcarbamic acid
SMILESO=C(O)NCc1cc(=O)[nH]o1
InChIInChI=1S/C5H6N2O4/c8-4-1-3(11-7-4)2-6-5(9)10/h1,6H,2H2,(H,7,8)(H,9,10)
InChIKeyJIVPKSBMKBFUNZ-UHFFFAOYSA-N
MW158.11 g/mol
LogP-0.26
Rot. Bonds2

About (3-oxo-1,2-oxazol-5-yl)methylcarbamic acid

(3-oxo-1,2-oxazol-5-yl)methylcarbamic acid (PubChem CID 174238438) has the molecular formula C5H6N2O4 and a molecular weight of 158.11 g/mol. Its IUPAC name is (3-oxo-1,2-oxazol-5-yl)methylcarbamic acid.

Molecular Properties

Compound Name(3-oxo-1,2-oxazol-5-yl)methylcarbamic acid
PubChem CID174238438
Molecular FormulaC5H6N2O4
Molecular Weight158.11 g/mol
Exact Mass158.03
IUPAC Name(3-oxo-1,2-oxazol-5-yl)methylcarbamic acid
SMILESO=C(O)NCc1cc(=O)[nH]o1
InChIInChI=1S/C5H6N2O4/c8-4-1-3(11-7-4)2-6-5(9)10/h1,6H,2H2,(H,7,8)(H,9,10)
InChIKeyJIVPKSBMKBFUNZ-UHFFFAOYSA-N
XLogP-0.26
TPSA95.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.11
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (3-oxo-1,2-oxazol-5-yl)methylcarbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-oxo-1,2-oxazol-5-yl)methylcarbamic acid?
The IUPAC name of (3-oxo-1,2-oxazol-5-yl)methylcarbamic acid (CID 174238438) is (3-oxo-1,2-oxazol-5-yl)methylcarbamic acid.
What is the SMILES notation for (3-oxo-1,2-oxazol-5-yl)methylcarbamic acid?
The canonical SMILES for (3-oxo-1,2-oxazol-5-yl)methylcarbamic acid is O=C(O)NCc1cc(=O)[nH]o1.
What is the InChIKey of (3-oxo-1,2-oxazol-5-yl)methylcarbamic acid?
The InChIKey is JIVPKSBMKBFUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O4/c8-4-1-3(11-7-4)2-6-5(9)10/h1,6H,2H2,(H,7,8)(H,9,10).
What are the key properties of (3-oxo-1,2-oxazol-5-yl)methylcarbamic acid?
(3-oxo-1,2-oxazol-5-yl)methylcarbamic acid has a molecular weight of 158.11 g/mol, XLogP of -0.26, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-oxo-1,2-oxazol-5-yl)methylcarbamic acid is sourced from PubChem (CID 174238438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).