3-[[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]-4-pyrrolidin-1-ylbenzamide

C27H25N5O3 — CID 41479452

IUPAC3-[[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]-4-pyrrolidin-1-ylbenzamide
SMILESCc1ccccc1-c1nnc(-c2ccc(C(=O)Nc3cc(C(N)=O)ccc3N3CCCC3)cc2)o1
InChIInChI=1S/C27H25N5O3/c1-17-6-2-3-7-21(17)27-31-30-26(35-27)19-10-8-18(9-11-19)25(34)29-22-16-20(24(28)33)12-13-23(22)32-14-4-5-15-32/h2-3,6-13,16H,4-5,14-15H2,1H3,(H2,28,33)(H,29,34)
InChIKeyRQVVNWWYHWRVDV-UHFFFAOYSA-N
MW467.53 g/mol
LogP4.66
Rot. Bonds6

About 3-[[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]-4-pyrrolidin-1-ylbenzamide

3-[[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]-4-pyrrolidin-1-ylbenzamide (PubChem CID 41479452) has the molecular formula C27H25N5O3 and a molecular weight of 467.53 g/mol. Its IUPAC name is 3-[[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]-4-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound Name3-[[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]-4-pyrrolidin-1-ylbenzamide
PubChem CID41479452
Molecular FormulaC27H25N5O3
Molecular Weight467.53 g/mol
Exact Mass467.20
IUPAC Name3-[[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]-4-pyrrolidin-1-ylbenzamide
SMILESCc1ccccc1-c1nnc(-c2ccc(C(=O)Nc3cc(C(N)=O)ccc3N3CCCC3)cc2)o1
InChIInChI=1S/C27H25N5O3/c1-17-6-2-3-7-21(17)27-31-30-26(35-27)19-10-8-18(9-11-19)25(34)29-22-16-20(24(28)33)12-13-23(22)32-14-4-5-15-32/h2-3,6-13,16H,4-5,14-15H2,1H3,(H2,28,33)(H,29,34)
InChIKeyRQVVNWWYHWRVDV-UHFFFAOYSA-N
XLogP4.66
TPSA114.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(4-methylbenzoyl)amino]-4-pyrrolidin-1-ylbenzamide
CID 17470127
N-(3-benzamidophenyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 55797169
2-methyl-4-[[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]benzamide
CID 56517932
N-(3-chloro-2-methylphenyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 41466869
4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[4-(phenylcarbamoylamino)phenyl]benzamide
CID 24676925
4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 24608350
N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-2,4-dimethylbenzamide
CID 30218966
4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(4-methylsulfanylphenyl)benzamide
CID 24608389
4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 24607379
N-[5-chloro-2-(dimethylamino)phenyl]-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 55542467
N-cycloheptyl-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 26002230
N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)quinoxaline-2-carboxamide
CID 30460786

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]-4-pyrrolidin-1-ylbenzamide?
The IUPAC name of 3-[[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]-4-pyrrolidin-1-ylbenzamide (CID 41479452) is 3-[[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]-4-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for 3-[[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]-4-pyrrolidin-1-ylbenzamide?
The canonical SMILES for 3-[[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]-4-pyrrolidin-1-ylbenzamide is Cc1ccccc1-c1nnc(-c2ccc(C(=O)Nc3cc(C(N)=O)ccc3N3CCCC3)cc2)o1.
What is the InChIKey of 3-[[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]-4-pyrrolidin-1-ylbenzamide?
The InChIKey is RQVVNWWYHWRVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O3/c1-17-6-2-3-7-21(17)27-31-30-26(35-27)19-10-8-18(9-11-19)25(34)29-22-16-20(24(28)33)12-13-23(22)32-14-4-5-15-32/h2-3,6-13,16H,4-5,14-15H2,1H3,(H2,28,33)(H,29,34).
What are the key properties of 3-[[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]-4-pyrrolidin-1-ylbenzamide?
3-[[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]-4-pyrrolidin-1-ylbenzamide has a molecular weight of 467.53 g/mol, XLogP of 4.66, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]-4-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 41479452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).