[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone

C27H26N4O2 — CID 38169652

IUPAC[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
SMILESCc1cccc(-c2nnc(-c3ccc(C(=O)N4CCN(C)C[C@@H]4c4ccccc4)cc3)o2)c1
InChIInChI=1S/C27H26N4O2/c1-19-7-6-10-23(17-19)26-29-28-25(33-26)21-11-13-22(14-12-21)27(32)31-16-15-30(2)18-24(31)20-8-4-3-5-9-20/h3-14,17,24H,15-16,18H2,1-2H3/t24-/m1/s1
InChIKeyZFMLXPMACZKHEZ-XMMPIXPASA-N
MW438.53 g/mol
LogP4.84
Rot. Bonds4

About [4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone

[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone (PubChem CID 38169652) has the molecular formula C27H26N4O2 and a molecular weight of 438.53 g/mol. Its IUPAC name is [4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
PubChem CID38169652
Molecular FormulaC27H26N4O2
Molecular Weight438.53 g/mol
Exact Mass438.21
IUPAC Name[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
SMILESCc1cccc(-c2nnc(-c3ccc(C(=O)N4CCN(C)C[C@@H]4c4ccccc4)cc3)o2)c1
InChIInChI=1S/C27H26N4O2/c1-19-7-6-10-23(17-19)26-29-28-25(33-26)21-11-13-22(14-12-21)27(32)31-16-15-30(2)18-24(31)20-8-4-3-5-9-20/h3-14,17,24H,15-16,18H2,1-2H3/t24-/m1/s1
InChIKeyZFMLXPMACZKHEZ-XMMPIXPASA-N
XLogP4.84
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 134046698
(4-methyl-2-phenylpiperazin-1-yl)-phenylmethanone
CID 4069484
(4-fluorophenyl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 37332392
N,N-dimethyl-1-[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]pyrrolidine-2-carboxamide
CID 134048312
(4-methoxyphenyl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 37332417
(3-chlorophenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 42891355
(3-methoxy-4-methylphenyl)-[(2R)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 25489891
[4-[(2R)-4-methyl-2-phenylpiperazine-1-carbonyl]phenyl]methylurea
CID 37333541
N,4-dimethyl-N-[4-(4-methyl-2-phenylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
CID 46533875
[(2S)-4-methyl-2-phenylpiperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 37333010
N-[1-[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperidin-4-yl]cyclopropanecarboxamide
CID 46446205
2-(4-methyl-2-phenylpiperazine-1-carbonyl)fluoren-9-one
CID 134042687

Frequently Asked Questions

What is the IUPAC name of [4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone?
The IUPAC name of [4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone (CID 38169652) is [4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone.
What is the SMILES notation for [4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone?
The canonical SMILES for [4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone is Cc1cccc(-c2nnc(-c3ccc(C(=O)N4CCN(C)C[C@@H]4c4ccccc4)cc3)o2)c1.
What is the InChIKey of [4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone?
The InChIKey is ZFMLXPMACZKHEZ-XMMPIXPASA-N. The full InChI is InChI=1S/C27H26N4O2/c1-19-7-6-10-23(17-19)26-29-28-25(33-26)21-11-13-22(14-12-21)27(32)31-16-15-30(2)18-24(31)20-8-4-3-5-9-20/h3-14,17,24H,15-16,18H2,1-2H3/t24-/m1/s1.
What are the key properties of [4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone?
[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone has a molecular weight of 438.53 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone is sourced from PubChem (CID 38169652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).