N-acetyl-4-methyl-1,3-oxazole-5-carboxamide

C7H8N2O3 — CID 539390

IUPACN-acetyl-4-methyl-1,3-oxazole-5-carboxamide
SMILESCC(=O)NC(=O)c1ocnc1C
InChIInChI=1S/C7H8N2O3/c1-4-6(12-3-8-4)7(11)9-5(2)10/h3H,1-2H3,(H,9,10,11)
InChIKeyUJJAMBDUJUGPRL-UHFFFAOYSA-N
MW168.15 g/mol
LogP0.26
Rot. Bonds1

About N-acetyl-4-methyl-1,3-oxazole-5-carboxamide

N-acetyl-4-methyl-1,3-oxazole-5-carboxamide (PubChem CID 539390) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is N-acetyl-4-methyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-acetyl-4-methyl-1,3-oxazole-5-carboxamide
PubChem CID539390
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC NameN-acetyl-4-methyl-1,3-oxazole-5-carboxamide
SMILESCC(=O)NC(=O)c1ocnc1C
InChIInChI=1S/C7H8N2O3/c1-4-6(12-3-8-4)7(11)9-5(2)10/h3H,1-2H3,(H,9,10,11)
InChIKeyUJJAMBDUJUGPRL-UHFFFAOYSA-N
XLogP0.26
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-acetyl-4-methyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-acetyl-4-methyl-1,3-oxazole-5-carboxamide (CID 539390) is N-acetyl-4-methyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-acetyl-4-methyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-acetyl-4-methyl-1,3-oxazole-5-carboxamide is CC(=O)NC(=O)c1ocnc1C.
What is the InChIKey of N-acetyl-4-methyl-1,3-oxazole-5-carboxamide?
The InChIKey is UJJAMBDUJUGPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c1-4-6(12-3-8-4)7(11)9-5(2)10/h3H,1-2H3,(H,9,10,11).
What are the key properties of N-acetyl-4-methyl-1,3-oxazole-5-carboxamide?
N-acetyl-4-methyl-1,3-oxazole-5-carboxamide has a molecular weight of 168.15 g/mol, XLogP of 0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-4-methyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 539390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).