(5-tert-butyl-1,2-oxazol-3-yl)carbamic acid

C8H12N2O3 — CID 21098071

IUPAC(5-tert-butyl-1,2-oxazol-3-yl)carbamic acid
SMILESCC(C)(C)c1cc(NC(=O)O)no1
InChIInChI=1S/C8H12N2O3/c1-8(2,3)5-4-6(10-13-5)9-7(11)12/h4H,1-3H3,(H,9,10)(H,11,12)
InChIKeyMKDCMVRABALDHI-UHFFFAOYSA-N
MW184.19 g/mol
LogP2.06
Rot. Bonds1

About (5-tert-butyl-1,2-oxazol-3-yl)carbamic acid

(5-tert-butyl-1,2-oxazol-3-yl)carbamic acid (PubChem CID 21098071) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is (5-tert-butyl-1,2-oxazol-3-yl)carbamic acid.

Molecular Properties

Compound Name(5-tert-butyl-1,2-oxazol-3-yl)carbamic acid
PubChem CID21098071
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name(5-tert-butyl-1,2-oxazol-3-yl)carbamic acid
SMILESCC(C)(C)c1cc(NC(=O)O)no1
InChIInChI=1S/C8H12N2O3/c1-8(2,3)5-4-6(10-13-5)9-7(11)12/h4H,1-3H3,(H,9,10)(H,11,12)
InChIKeyMKDCMVRABALDHI-UHFFFAOYSA-N
XLogP2.06
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (5-tert-butyl-1,2-oxazol-3-yl)carbamic acid with MolForge

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

Launch Full Analysis

Related Compounds

(5-tert-butyl-1,2-oxazol-3-yl)urea
CID 6453261
CID 58990227
CID 58990227
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-phenylurea
CID 2813558
4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]benzoic acid
CID 59380957
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-methylthiourea
CID 19687473
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(2,5-dimethylthiophen-3-yl)acetamide
CID 166220441
methyl 2-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]acetate
CID 13489713
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-ethylsulfanyl-2-methylpropanamide
CID 59703925
3-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]benzoic acid
CID 108812205
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2-hydroxy-5-methylphenyl)urea
CID 108812308
(1R,2R,3R,4S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 100741524
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2,3-dimethylphenyl)urea
CID 17378544

Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-1,2-oxazol-3-yl)carbamic acid?
The IUPAC name of (5-tert-butyl-1,2-oxazol-3-yl)carbamic acid (CID 21098071) is (5-tert-butyl-1,2-oxazol-3-yl)carbamic acid.
What is the SMILES notation for (5-tert-butyl-1,2-oxazol-3-yl)carbamic acid?
The canonical SMILES for (5-tert-butyl-1,2-oxazol-3-yl)carbamic acid is CC(C)(C)c1cc(NC(=O)O)no1.
What is the InChIKey of (5-tert-butyl-1,2-oxazol-3-yl)carbamic acid?
The InChIKey is MKDCMVRABALDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-8(2,3)5-4-6(10-13-5)9-7(11)12/h4H,1-3H3,(H,9,10)(H,11,12).
What are the key properties of (5-tert-butyl-1,2-oxazol-3-yl)carbamic acid?
(5-tert-butyl-1,2-oxazol-3-yl)carbamic acid has a molecular weight of 184.19 g/mol, XLogP of 2.06, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butyl-1,2-oxazol-3-yl)carbamic acid is sourced from PubChem (CID 21098071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).