N-butan-2-yl-3-oxo-1,2-oxazole-4-carboxamide

C8H12N2O3 — CID 123972436

IUPACN-butan-2-yl-3-oxo-1,2-oxazole-4-carboxamide
SMILESCCC(C)NC(=O)c1co[nH]c1=O
InChIInChI=1S/C8H12N2O3/c1-3-5(2)9-7(11)6-4-13-10-8(6)12/h4-5H,3H2,1-2H3,(H,9,11)(H,10,12)
InChIKeySMXSRZURKFIYBP-UHFFFAOYSA-N
MW184.19 g/mol
LogP0.50
Rot. Bonds3

About N-butan-2-yl-3-oxo-1,2-oxazole-4-carboxamide

N-butan-2-yl-3-oxo-1,2-oxazole-4-carboxamide (PubChem CID 123972436) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is N-butan-2-yl-3-oxo-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-3-oxo-1,2-oxazole-4-carboxamide
PubChem CID123972436
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC NameN-butan-2-yl-3-oxo-1,2-oxazole-4-carboxamide
SMILESCCC(C)NC(=O)c1co[nH]c1=O
InChIInChI=1S/C8H12N2O3/c1-3-5(2)9-7(11)6-4-13-10-8(6)12/h4-5H,3H2,1-2H3,(H,9,11)(H,10,12)
InChIKeySMXSRZURKFIYBP-UHFFFAOYSA-N
XLogP0.50
TPSA75.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-oxo-1,2-oxazole-4-carboxamide?
The IUPAC name of N-butan-2-yl-3-oxo-1,2-oxazole-4-carboxamide (CID 123972436) is N-butan-2-yl-3-oxo-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-3-oxo-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-butan-2-yl-3-oxo-1,2-oxazole-4-carboxamide is CCC(C)NC(=O)c1co[nH]c1=O.
What is the InChIKey of N-butan-2-yl-3-oxo-1,2-oxazole-4-carboxamide?
The InChIKey is SMXSRZURKFIYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-3-5(2)9-7(11)6-4-13-10-8(6)12/h4-5H,3H2,1-2H3,(H,9,11)(H,10,12).
What are the key properties of N-butan-2-yl-3-oxo-1,2-oxazole-4-carboxamide?
N-butan-2-yl-3-oxo-1,2-oxazole-4-carboxamide has a molecular weight of 184.19 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-oxo-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 123972436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).