4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide

C27H23N5O2 — CID 38076438

IUPAC4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
SMILESCc1cccc(-c2nnc(-c3ccc(C(=O)NCCc4ccc(-n5cccn5)cc4)cc3)o2)c1
InChIInChI=1S/C27H23N5O2/c1-19-4-2-5-23(18-19)27-31-30-26(34-27)22-10-8-21(9-11-22)25(33)28-16-14-20-6-12-24(13-7-20)32-17-3-15-29-32/h2-13,15,17-18H,14,16H2,1H3,(H,28,33)
InChIKeyUSSYNRZHWBVBHJ-UHFFFAOYSA-N
MW449.51 g/mol
LogP4.87
Rot. Bonds7

About 4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide

4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide (PubChem CID 38076438) has the molecular formula C27H23N5O2 and a molecular weight of 449.51 g/mol. Its IUPAC name is 4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
PubChem CID38076438
Molecular FormulaC27H23N5O2
Molecular Weight449.51 g/mol
Exact Mass449.19
IUPAC Name4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
SMILESCc1cccc(-c2nnc(-c3ccc(C(=O)NCCc4ccc(-n5cccn5)cc4)cc3)o2)c1
InChIInChI=1S/C27H23N5O2/c1-19-4-2-5-23(18-19)27-31-30-26(34-27)22-10-8-21(9-11-22)25(33)28-16-14-20-6-12-24(13-7-20)32-17-3-15-29-32/h2-13,15,17-18H,14,16H2,1H3,(H,28,33)
InChIKeyUSSYNRZHWBVBHJ-UHFFFAOYSA-N
XLogP4.87
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(3-pyrazol-1-ylphenyl)benzamide
CID 55702942
4-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 41412823
4-(methoxymethyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 26081638
2-chloro-N-[2-[[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]ethyl]benzamide
CID 55659481
2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 34502367
4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(3-phenoxypropyl)benzamide
CID 33048681
4-methyl-3-nitro-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 41412921
N-[2-(2-methoxyphenoxy)ethyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 46558814
2,3-dimethyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 41412698
4-(difluoromethoxy)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 41412873
1-[(4-methylphenyl)methyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 16608929
4-methoxy-N-[2-[[N'-methyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]carbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111863419

Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide?
The IUPAC name of 4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide (CID 38076438) is 4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide.
What is the SMILES notation for 4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide?
The canonical SMILES for 4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide is Cc1cccc(-c2nnc(-c3ccc(C(=O)NCCc4ccc(-n5cccn5)cc4)cc3)o2)c1.
What is the InChIKey of 4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide?
The InChIKey is USSYNRZHWBVBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5O2/c1-19-4-2-5-23(18-19)27-31-30-26(34-27)22-10-8-21(9-11-22)25(33)28-16-14-20-6-12-24(13-7-20)32-17-3-15-29-32/h2-13,15,17-18H,14,16H2,1H3,(H,28,33).
What are the key properties of 4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide?
4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide has a molecular weight of 449.51 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide is sourced from PubChem (CID 38076438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).