N-[(4-methyl-1,3-oxazol-5-yl)methyl]butanamide

C9H14N2O2 — CID 110671154

IUPACN-[(4-methyl-1,3-oxazol-5-yl)methyl]butanamide
SMILESCCCC(=O)NCc1ocnc1C
InChIInChI=1S/C9H14N2O2/c1-3-4-9(12)10-5-8-7(2)11-6-13-8/h6H,3-5H2,1-2H3,(H,10,12)
InChIKeySUNNXUFQOLXYCC-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.40
Rot. Bonds4

About N-[(4-methyl-1,3-oxazol-5-yl)methyl]butanamide

N-[(4-methyl-1,3-oxazol-5-yl)methyl]butanamide (PubChem CID 110671154) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is N-[(4-methyl-1,3-oxazol-5-yl)methyl]butanamide.

Molecular Properties

Compound NameN-[(4-methyl-1,3-oxazol-5-yl)methyl]butanamide
PubChem CID110671154
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC NameN-[(4-methyl-1,3-oxazol-5-yl)methyl]butanamide
SMILESCCCC(=O)NCc1ocnc1C
InChIInChI=1S/C9H14N2O2/c1-3-4-9(12)10-5-8-7(2)11-6-13-8/h6H,3-5H2,1-2H3,(H,10,12)
InChIKeySUNNXUFQOLXYCC-UHFFFAOYSA-N
XLogP1.40
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,3-oxazol-5-yl)methyl]butanamide?
The IUPAC name of N-[(4-methyl-1,3-oxazol-5-yl)methyl]butanamide (CID 110671154) is N-[(4-methyl-1,3-oxazol-5-yl)methyl]butanamide.
What is the SMILES notation for N-[(4-methyl-1,3-oxazol-5-yl)methyl]butanamide?
The canonical SMILES for N-[(4-methyl-1,3-oxazol-5-yl)methyl]butanamide is CCCC(=O)NCc1ocnc1C.
What is the InChIKey of N-[(4-methyl-1,3-oxazol-5-yl)methyl]butanamide?
The InChIKey is SUNNXUFQOLXYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-3-4-9(12)10-5-8-7(2)11-6-13-8/h6H,3-5H2,1-2H3,(H,10,12).
What are the key properties of N-[(4-methyl-1,3-oxazol-5-yl)methyl]butanamide?
N-[(4-methyl-1,3-oxazol-5-yl)methyl]butanamide has a molecular weight of 182.22 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,3-oxazol-5-yl)methyl]butanamide is sourced from PubChem (CID 110671154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).