5-(3-methylbutanoylamino)-3-propan-2-yl-1,2-oxazole-4-carboxamide

C12H19N3O3 — CID 15280158

IUPAC5-(3-methylbutanoylamino)-3-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCC(C)CC(=O)Nc1onc(C(C)C)c1C(N)=O
InChIInChI=1S/C12H19N3O3/c1-6(2)5-8(16)14-12-9(11(13)17)10(7(3)4)15-18-12/h6-7H,5H2,1-4H3,(H2,13,17)(H,14,16)
InChIKeyGJTOPPBMZXKXIT-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.88
Rot. Bonds5

About 5-(3-methylbutanoylamino)-3-propan-2-yl-1,2-oxazole-4-carboxamide

5-(3-methylbutanoylamino)-3-propan-2-yl-1,2-oxazole-4-carboxamide (PubChem CID 15280158) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 5-(3-methylbutanoylamino)-3-propan-2-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(3-methylbutanoylamino)-3-propan-2-yl-1,2-oxazole-4-carboxamide
PubChem CID15280158
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name5-(3-methylbutanoylamino)-3-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCC(C)CC(=O)Nc1onc(C(C)C)c1C(N)=O
InChIInChI=1S/C12H19N3O3/c1-6(2)5-8(16)14-12-9(11(13)17)10(7(3)4)15-18-12/h6-7H,5H2,1-4H3,(H2,13,17)(H,14,16)
InChIKeyGJTOPPBMZXKXIT-UHFFFAOYSA-N
XLogP1.88
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methylbutanoylamino)-3-propan-2-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-(3-methylbutanoylamino)-3-propan-2-yl-1,2-oxazole-4-carboxamide (CID 15280158) is 5-(3-methylbutanoylamino)-3-propan-2-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-(3-methylbutanoylamino)-3-propan-2-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-(3-methylbutanoylamino)-3-propan-2-yl-1,2-oxazole-4-carboxamide is CC(C)CC(=O)Nc1onc(C(C)C)c1C(N)=O.
What is the InChIKey of 5-(3-methylbutanoylamino)-3-propan-2-yl-1,2-oxazole-4-carboxamide?
The InChIKey is GJTOPPBMZXKXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-6(2)5-8(16)14-12-9(11(13)17)10(7(3)4)15-18-12/h6-7H,5H2,1-4H3,(H2,13,17)(H,14,16).
What are the key properties of 5-(3-methylbutanoylamino)-3-propan-2-yl-1,2-oxazole-4-carboxamide?
5-(3-methylbutanoylamino)-3-propan-2-yl-1,2-oxazole-4-carboxamide has a molecular weight of 253.30 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylbutanoylamino)-3-propan-2-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 15280158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).