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

C20H29N3O2 — CID 94812591

IUPAC4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(2S)-4-methyl-4-phenylpentan-2-yl]butanamide
SMILESCCc1noc(CCCC(=O)N[C@@H](C)CC(C)(C)c2ccccc2)n1
InChIInChI=1S/C20H29N3O2/c1-5-17-22-19(25-23-17)13-9-12-18(24)21-15(2)14-20(3,4)16-10-7-6-8-11-16/h6-8,10-11,15H,5,9,12-14H2,1-4H3,(H,21,24)/t15-/m0/s1
InChIKeyKFOMLAUQUDUDJB-HNNXBMFYSA-N
MW343.47 g/mol
LogP3.83
Rot. Bonds9

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

4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(2S)-4-methyl-4-phenylpentan-2-yl]butanamide (PubChem CID 94812591) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(2S)-4-methyl-4-phenylpentan-2-yl]butanamide.

Molecular Properties

Compound Name4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(2S)-4-methyl-4-phenylpentan-2-yl]butanamide
PubChem CID94812591
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(2S)-4-methyl-4-phenylpentan-2-yl]butanamide
SMILESCCc1noc(CCCC(=O)N[C@@H](C)CC(C)(C)c2ccccc2)n1
InChIInChI=1S/C20H29N3O2/c1-5-17-22-19(25-23-17)13-9-12-18(24)21-15(2)14-20(3,4)16-10-7-6-8-11-16/h6-8,10-11,15H,5,9,12-14H2,1-4H3,(H,21,24)/t15-/m0/s1
InChIKeyKFOMLAUQUDUDJB-HNNXBMFYSA-N
XLogP3.83
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(2S)-4-methyl-4-phenylpentan-2-yl]butanamide?
The IUPAC name of 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(2S)-4-methyl-4-phenylpentan-2-yl]butanamide (CID 94812591) is 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(2S)-4-methyl-4-phenylpentan-2-yl]butanamide.
What is the SMILES notation for 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(2S)-4-methyl-4-phenylpentan-2-yl]butanamide?
The canonical SMILES for 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(2S)-4-methyl-4-phenylpentan-2-yl]butanamide is CCc1noc(CCCC(=O)N[C@@H](C)CC(C)(C)c2ccccc2)n1.
What is the InChIKey of 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(2S)-4-methyl-4-phenylpentan-2-yl]butanamide?
The InChIKey is KFOMLAUQUDUDJB-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-5-17-22-19(25-23-17)13-9-12-18(24)21-15(2)14-20(3,4)16-10-7-6-8-11-16/h6-8,10-11,15H,5,9,12-14H2,1-4H3,(H,21,24)/t15-/m0/s1.
What are the key properties of 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(2S)-4-methyl-4-phenylpentan-2-yl]butanamide?
4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(2S)-4-methyl-4-phenylpentan-2-yl]butanamide has a molecular weight of 343.47 g/mol, XLogP of 3.83, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-[(2S)-4-methyl-4-phenylpentan-2-yl]butanamide is sourced from PubChem (CID 94812591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).