4-chloro-N-[4-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethylamino]phenyl]benzamide

C24H21ClN4O2 — CID 60582852

IUPAC4-chloro-N-[4-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethylamino]phenyl]benzamide
SMILESCc1ccc(-c2nnc(C(C)Nc3ccc(NC(=O)c4ccc(Cl)cc4)cc3)o2)cc1
InChIInChI=1S/C24H21ClN4O2/c1-15-3-5-18(6-4-15)24-29-28-23(31-24)16(2)26-20-11-13-21(14-12-20)27-22(30)17-7-9-19(25)10-8-17/h3-14,16,26H,1-2H3,(H,27,30)
InChIKeyGZUUTDFUVVKCCR-UHFFFAOYSA-N
MW432.91 g/mol
LogP6.12
Rot. Bonds6

About 4-chloro-N-[4-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethylamino]phenyl]benzamide

4-chloro-N-[4-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethylamino]phenyl]benzamide (PubChem CID 60582852) has the molecular formula C24H21ClN4O2 and a molecular weight of 432.91 g/mol. Its IUPAC name is 4-chloro-N-[4-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethylamino]phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethylamino]phenyl]benzamide
PubChem CID60582852
Molecular FormulaC24H21ClN4O2
Molecular Weight432.91 g/mol
Exact Mass432.14
IUPAC Name4-chloro-N-[4-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethylamino]phenyl]benzamide
SMILESCc1ccc(-c2nnc(C(C)Nc3ccc(NC(=O)c4ccc(Cl)cc4)cc3)o2)cc1
InChIInChI=1S/C24H21ClN4O2/c1-15-3-5-18(6-4-15)24-29-28-23(31-24)16(2)26-20-11-13-21(14-12-20)27-22(30)17-7-9-19(25)10-8-17/h3-14,16,26H,1-2H3,(H,27,30)
InChIKeyGZUUTDFUVVKCCR-UHFFFAOYSA-N
XLogP6.12
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.91
LogP ≤ 56.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-3-fluoro-N-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]aniline
CID 99583468
N-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-4-methylbenzamide
CID 26791742
[(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 4-chlorobenzoate
CID 9413145
4-chloro-N-[4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylamino]phenyl]benzamide
CID 47485656
4-chloro-N-[4-[1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethylamino]phenyl]benzamide
CID 60583020
4-ethoxy-N-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]aniline
CID 25357173
2-(4-chlorophenoxy)-N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]propanamide
CID 17359055
N-(4-chlorophenyl)-4-(1,3,4-oxadiazol-2-yl)benzamide
CID 9073204
N-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-4-piperidin-1-ylaniline
CID 25339430
N-(3-chloro-4-fluorophenyl)-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 30708774
N-(4-chlorophenyl)-4-[5-methyl-4-[(4-methylphenyl)sulfanylmethyl]-1,3-oxazol-2-yl]benzamide
CID 46277666
N-[(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1,3-benzodioxol-5-amine
CID 25340888

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethylamino]phenyl]benzamide?
The IUPAC name of 4-chloro-N-[4-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethylamino]phenyl]benzamide (CID 60582852) is 4-chloro-N-[4-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethylamino]phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethylamino]phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[4-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethylamino]phenyl]benzamide is Cc1ccc(-c2nnc(C(C)Nc3ccc(NC(=O)c4ccc(Cl)cc4)cc3)o2)cc1.
What is the InChIKey of 4-chloro-N-[4-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethylamino]phenyl]benzamide?
The InChIKey is GZUUTDFUVVKCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O2/c1-15-3-5-18(6-4-15)24-29-28-23(31-24)16(2)26-20-11-13-21(14-12-20)27-22(30)17-7-9-19(25)10-8-17/h3-14,16,26H,1-2H3,(H,27,30).
What are the key properties of 4-chloro-N-[4-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethylamino]phenyl]benzamide?
4-chloro-N-[4-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethylamino]phenyl]benzamide has a molecular weight of 432.91 g/mol, XLogP of 6.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethylamino]phenyl]benzamide is sourced from PubChem (CID 60582852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).