N-[(4-chlorophenyl)-phenylmethyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide

C22H24ClN3O2 — CID 55824272

IUPACN-[(4-chlorophenyl)-phenylmethyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCCCc1noc(CCCC(=O)NC(c2ccccc2)c2ccc(Cl)cc2)n1
InChIInChI=1S/C22H24ClN3O2/c1-2-7-19-24-21(28-26-19)11-6-10-20(27)25-22(16-8-4-3-5-9-16)17-12-14-18(23)15-13-17/h3-5,8-9,12-15,22H,2,6-7,10-11H2,1H3,(H,25,27)
InChIKeyNXCUFFGXQZUPAB-UHFFFAOYSA-N
MW397.91 g/mol
LogP4.90
Rot. Bonds9

About N-[(4-chlorophenyl)-phenylmethyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide

N-[(4-chlorophenyl)-phenylmethyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide (PubChem CID 55824272) has the molecular formula C22H24ClN3O2 and a molecular weight of 397.91 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-phenylmethyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-phenylmethyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
PubChem CID55824272
Molecular FormulaC22H24ClN3O2
Molecular Weight397.91 g/mol
Exact Mass397.16
IUPAC NameN-[(4-chlorophenyl)-phenylmethyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCCCc1noc(CCCC(=O)NC(c2ccccc2)c2ccc(Cl)cc2)n1
InChIInChI=1S/C22H24ClN3O2/c1-2-7-19-24-21(28-26-19)11-6-10-20(27)25-22(16-8-4-3-5-9-16)17-12-14-18(23)15-13-17/h3-5,8-9,12-15,22H,2,6-7,10-11H2,1H3,(H,25,27)
InChIKeyNXCUFFGXQZUPAB-UHFFFAOYSA-N
XLogP4.90
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-4-(3-ethyl-1,2,4-oxadiazol-5-yl)butanamide
CID 55866321
methyl (2R)-2-phenyl-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]acetate
CID 95275306
N-[(R)-(4-fluorophenyl)-phenylmethyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 51956080
(2S)-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]propanoic acid
CID 119238057
N-(2-amino-1-naphthalen-2-ylethyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
CID 120567918
2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]butanoic acid
CID 119223527
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
CID 119526959
methyl 3-(4-methylphenyl)-3-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]propanoate
CID 55821846
(2R)-4-methyl-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]pentanoic acid
CID 119364174
methyl 3-(4-fluorophenyl)-3-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]propanoate
CID 55998018
N-[4-methyl-1-(1-phenylethyl)pyrazol-3-yl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
CID 119045768
N-benzhydryl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 9192496

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-phenylmethyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide?
The IUPAC name of N-[(4-chlorophenyl)-phenylmethyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide (CID 55824272) is N-[(4-chlorophenyl)-phenylmethyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide.
What is the SMILES notation for N-[(4-chlorophenyl)-phenylmethyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide?
The canonical SMILES for N-[(4-chlorophenyl)-phenylmethyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide is CCCc1noc(CCCC(=O)NC(c2ccccc2)c2ccc(Cl)cc2)n1.
What is the InChIKey of N-[(4-chlorophenyl)-phenylmethyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide?
The InChIKey is NXCUFFGXQZUPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O2/c1-2-7-19-24-21(28-26-19)11-6-10-20(27)25-22(16-8-4-3-5-9-16)17-12-14-18(23)15-13-17/h3-5,8-9,12-15,22H,2,6-7,10-11H2,1H3,(H,25,27).
What are the key properties of N-[(4-chlorophenyl)-phenylmethyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide?
N-[(4-chlorophenyl)-phenylmethyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide has a molecular weight of 397.91 g/mol, XLogP of 4.90, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-phenylmethyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide is sourced from PubChem (CID 55824272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).