(3,4-dimethyl-1,2-oxazol-5-yl)carbamic acid

C6H8N2O3 — CID 68521770

IUPAC(3,4-dimethyl-1,2-oxazol-5-yl)carbamic acid
SMILESCc1noc(NC(=O)O)c1C
InChIInChI=1S/C6H8N2O3/c1-3-4(2)8-11-5(3)7-6(9)10/h7H,1-2H3,(H,9,10)
InChIKeyJGCVISBWPLKWOF-UHFFFAOYSA-N
MW156.14 g/mol
LogP1.38
Rot. Bonds1

About (3,4-dimethyl-1,2-oxazol-5-yl)carbamic acid

(3,4-dimethyl-1,2-oxazol-5-yl)carbamic acid (PubChem CID 68521770) has the molecular formula C6H8N2O3 and a molecular weight of 156.14 g/mol. Its IUPAC name is (3,4-dimethyl-1,2-oxazol-5-yl)carbamic acid.

Molecular Properties

Compound Name(3,4-dimethyl-1,2-oxazol-5-yl)carbamic acid
PubChem CID68521770
Molecular FormulaC6H8N2O3
Molecular Weight156.14 g/mol
Exact Mass156.05
IUPAC Name(3,4-dimethyl-1,2-oxazol-5-yl)carbamic acid
SMILESCc1noc(NC(=O)O)c1C
InChIInChI=1S/C6H8N2O3/c1-3-4(2)8-11-5(3)7-6(9)10/h7H,1-2H3,(H,9,10)
InChIKeyJGCVISBWPLKWOF-UHFFFAOYSA-N
XLogP1.38
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,4-dimethyl-1,2-oxazol-5-yl)carbamic acid?
The IUPAC name of (3,4-dimethyl-1,2-oxazol-5-yl)carbamic acid (CID 68521770) is (3,4-dimethyl-1,2-oxazol-5-yl)carbamic acid.
What is the SMILES notation for (3,4-dimethyl-1,2-oxazol-5-yl)carbamic acid?
The canonical SMILES for (3,4-dimethyl-1,2-oxazol-5-yl)carbamic acid is Cc1noc(NC(=O)O)c1C.
What is the InChIKey of (3,4-dimethyl-1,2-oxazol-5-yl)carbamic acid?
The InChIKey is JGCVISBWPLKWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3/c1-3-4(2)8-11-5(3)7-6(9)10/h7H,1-2H3,(H,9,10).
What are the key properties of (3,4-dimethyl-1,2-oxazol-5-yl)carbamic acid?
(3,4-dimethyl-1,2-oxazol-5-yl)carbamic acid has a molecular weight of 156.14 g/mol, XLogP of 1.38, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethyl-1,2-oxazol-5-yl)carbamic acid is sourced from PubChem (CID 68521770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).