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

C6H8N2O3 — CID 91468811

IUPAC(2,5-dimethyl-1,3-oxazol-4-yl)carbamic acid
SMILESCc1nc(NC(=O)O)c(C)o1
InChIInChI=1S/C6H8N2O3/c1-3-5(8-6(9)10)7-4(2)11-3/h8H,1-2H3,(H,9,10)
InChIKeyFJYJZUGKYDZCAH-UHFFFAOYSA-N
MW156.14 g/mol
LogP1.38
Rot. Bonds1

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

(2,5-dimethyl-1,3-oxazol-4-yl)carbamic acid (PubChem CID 91468811) has the molecular formula C6H8N2O3 and a molecular weight of 156.14 g/mol. Its IUPAC name is (2,5-dimethyl-1,3-oxazol-4-yl)carbamic acid.

Molecular Properties

Compound Name(2,5-dimethyl-1,3-oxazol-4-yl)carbamic acid
PubChem CID91468811
Molecular FormulaC6H8N2O3
Molecular Weight156.14 g/mol
Exact Mass156.05
IUPAC Name(2,5-dimethyl-1,3-oxazol-4-yl)carbamic acid
SMILESCc1nc(NC(=O)O)c(C)o1
InChIInChI=1S/C6H8N2O3/c1-3-5(8-6(9)10)7-4(2)11-3/h8H,1-2H3,(H,9,10)
InChIKeyFJYJZUGKYDZCAH-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 (2,5-dimethyl-1,3-oxazol-4-yl)carbamic acid?
The IUPAC name of (2,5-dimethyl-1,3-oxazol-4-yl)carbamic acid (CID 91468811) is (2,5-dimethyl-1,3-oxazol-4-yl)carbamic acid.
What is the SMILES notation for (2,5-dimethyl-1,3-oxazol-4-yl)carbamic acid?
The canonical SMILES for (2,5-dimethyl-1,3-oxazol-4-yl)carbamic acid is Cc1nc(NC(=O)O)c(C)o1.
What is the InChIKey of (2,5-dimethyl-1,3-oxazol-4-yl)carbamic acid?
The InChIKey is FJYJZUGKYDZCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3/c1-3-5(8-6(9)10)7-4(2)11-3/h8H,1-2H3,(H,9,10).
What are the key properties of (2,5-dimethyl-1,3-oxazol-4-yl)carbamic acid?
(2,5-dimethyl-1,3-oxazol-4-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 (2,5-dimethyl-1,3-oxazol-4-yl)carbamic acid is sourced from PubChem (CID 91468811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).