N-[(1R)-1-(3-chlorophenyl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide

C20H20ClN3O2 — CID 39705619

IUPACN-[(1R)-1-(3-chlorophenyl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide
SMILESC[C@@H](NC(=O)CCCc1nnc(-c2ccccc2)o1)c1cccc(Cl)c1
InChIInChI=1S/C20H20ClN3O2/c1-14(16-9-5-10-17(21)13-16)22-18(25)11-6-12-19-23-24-20(26-19)15-7-3-2-4-8-15/h2-5,7-10,13-14H,6,11-12H2,1H3,(H,22,25)/t14-/m1/s1
InChIKeyRLXCBQLZYZZPPR-CQSZACIVSA-N
MW369.85 g/mol
LogP4.59
Rot. Bonds7

About N-[(1R)-1-(3-chlorophenyl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide

N-[(1R)-1-(3-chlorophenyl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide (PubChem CID 39705619) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is N-[(1R)-1-(3-chlorophenyl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-chlorophenyl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide
PubChem CID39705619
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC NameN-[(1R)-1-(3-chlorophenyl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide
SMILESC[C@@H](NC(=O)CCCc1nnc(-c2ccccc2)o1)c1cccc(Cl)c1
InChIInChI=1S/C20H20ClN3O2/c1-14(16-9-5-10-17(21)13-16)22-18(25)11-6-12-19-23-24-20(26-19)15-7-3-2-4-8-15/h2-5,7-10,13-14H,6,11-12H2,1H3,(H,22,25)/t14-/m1/s1
InChIKeyRLXCBQLZYZZPPR-CQSZACIVSA-N
XLogP4.59
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,4-dichlorophenyl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide
CID 42960615
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide
CID 39715287
N-(1-hydroxypropan-2-yl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide
CID 110890211
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]propanamide
CID 46478919
N-[1-(2,5-dimethylphenyl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide
CID 55686944
N-[(1S)-1-(3-chlorophenyl)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 9181339
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7534203
N-[1-(2,4-difluorophenyl)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 43017196
N-[1-(4-methylsulfonylphenyl)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 24516334
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-(methylamino)butanamide
CID 81372625
N-butan-2-yl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 51217058
4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanoic acid
CID 23986643

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-chlorophenyl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide?
The IUPAC name of N-[(1R)-1-(3-chlorophenyl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide (CID 39705619) is N-[(1R)-1-(3-chlorophenyl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide.
What is the SMILES notation for N-[(1R)-1-(3-chlorophenyl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide?
The canonical SMILES for N-[(1R)-1-(3-chlorophenyl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide is C[C@@H](NC(=O)CCCc1nnc(-c2ccccc2)o1)c1cccc(Cl)c1.
What is the InChIKey of N-[(1R)-1-(3-chlorophenyl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide?
The InChIKey is RLXCBQLZYZZPPR-CQSZACIVSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c1-14(16-9-5-10-17(21)13-16)22-18(25)11-6-12-19-23-24-20(26-19)15-7-3-2-4-8-15/h2-5,7-10,13-14H,6,11-12H2,1H3,(H,22,25)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-(3-chlorophenyl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide?
N-[(1R)-1-(3-chlorophenyl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide has a molecular weight of 369.85 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-chlorophenyl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide is sourced from PubChem (CID 39705619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).