(3S)-3-imidazol-1-yl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide

C12H17N5O3 — CID 125167439

IUPAC(3S)-3-imidazol-1-yl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide
SMILESCOCc1noc(CNC(=O)C[C@H](C)n2ccnc2)n1
InChIInChI=1S/C12H17N5O3/c1-9(17-4-3-13-8-17)5-11(18)14-6-12-15-10(7-19-2)16-20-12/h3-4,8-9H,5-7H2,1-2H3,(H,14,18)/t9-/m0/s1
InChIKeySFZINFWPMJSVDW-VIFPVBQESA-N
MW279.30 g/mol
LogP0.68
Rot. Bonds7

About (3S)-3-imidazol-1-yl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide

(3S)-3-imidazol-1-yl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide (PubChem CID 125167439) has the molecular formula C12H17N5O3 and a molecular weight of 279.30 g/mol. Its IUPAC name is (3S)-3-imidazol-1-yl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide.

Molecular Properties

Compound Name(3S)-3-imidazol-1-yl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide
PubChem CID125167439
Molecular FormulaC12H17N5O3
Molecular Weight279.30 g/mol
Exact Mass279.13
IUPAC Name(3S)-3-imidazol-1-yl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide
SMILESCOCc1noc(CNC(=O)C[C@H](C)n2ccnc2)n1
InChIInChI=1S/C12H17N5O3/c1-9(17-4-3-13-8-17)5-11(18)14-6-12-15-10(7-19-2)16-20-12/h3-4,8-9H,5-7H2,1-2H3,(H,14,18)/t9-/m0/s1
InChIKeySFZINFWPMJSVDW-VIFPVBQESA-N
XLogP0.68
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3S)-3-imidazol-1-yl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-3-imidazol-1-yl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide?
The IUPAC name of (3S)-3-imidazol-1-yl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide (CID 125167439) is (3S)-3-imidazol-1-yl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide.
What is the SMILES notation for (3S)-3-imidazol-1-yl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide?
The canonical SMILES for (3S)-3-imidazol-1-yl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide is COCc1noc(CNC(=O)C[C@H](C)n2ccnc2)n1.
What is the InChIKey of (3S)-3-imidazol-1-yl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide?
The InChIKey is SFZINFWPMJSVDW-VIFPVBQESA-N. The full InChI is InChI=1S/C12H17N5O3/c1-9(17-4-3-13-8-17)5-11(18)14-6-12-15-10(7-19-2)16-20-12/h3-4,8-9H,5-7H2,1-2H3,(H,14,18)/t9-/m0/s1.
What are the key properties of (3S)-3-imidazol-1-yl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide?
(3S)-3-imidazol-1-yl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide has a molecular weight of 279.30 g/mol, XLogP of 0.68, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-imidazol-1-yl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide is sourced from PubChem (CID 125167439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).