2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide

C27H26N4O2 — CID 37481709

IUPAC2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
SMILESCc1ccc(-c2cnc(-c3ccccc3C(=O)NCc3ccc(N4CCCC4)nc3)o2)cc1
InChIInChI=1S/C27H26N4O2/c1-19-8-11-21(12-9-19)24-18-30-27(33-24)23-7-3-2-6-22(23)26(32)29-17-20-10-13-25(28-16-20)31-14-4-5-15-31/h2-3,6-13,16,18H,4-5,14-15,17H2,1H3,(H,29,32)
InChIKeyQHTSUOKXTXMSHX-UHFFFAOYSA-N
MW438.53 g/mol
LogP5.24
Rot. Bonds6

About 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide

2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide (PubChem CID 37481709) has the molecular formula C27H26N4O2 and a molecular weight of 438.53 g/mol. Its IUPAC name is 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
PubChem CID37481709
Molecular FormulaC27H26N4O2
Molecular Weight438.53 g/mol
Exact Mass438.21
IUPAC Name2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
SMILESCc1ccc(-c2cnc(-c3ccccc3C(=O)NCc3ccc(N4CCCC4)nc3)o2)cc1
InChIInChI=1S/C27H26N4O2/c1-19-8-11-21(12-9-19)24-18-30-27(33-24)23-7-3-2-6-22(23)26(32)29-17-20-10-13-25(28-16-20)31-14-4-5-15-31/h2-3,6-13,16,18H,4-5,14-15,17H2,1H3,(H,29,32)
InChIKeyQHTSUOKXTXMSHX-UHFFFAOYSA-N
XLogP5.24
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.53
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-dimethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 38528042
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide
CID 60604982
2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 100508849
N-[2-(tert-butylamino)-2-oxoethyl]-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide
CID 30702962
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide;hydrochloride
CID 120943363
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-(trifluoromethyl)benzamide
CID 53149086
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 78881990
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-[methyl(methylsulfonyl)amino]benzamide
CID 47043377
2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-ethylbenzamide
CID 100512374
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 30832323
2-(5-phenyl-1,3-oxazol-2-yl)-N-propylbenzamide
CID 24654497
2-[4-[2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 30887702

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide?
The IUPAC name of 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide (CID 37481709) is 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide.
What is the SMILES notation for 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide?
The canonical SMILES for 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide is Cc1ccc(-c2cnc(-c3ccccc3C(=O)NCc3ccc(N4CCCC4)nc3)o2)cc1.
What is the InChIKey of 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide?
The InChIKey is QHTSUOKXTXMSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O2/c1-19-8-11-21(12-9-19)24-18-30-27(33-24)23-7-3-2-6-22(23)26(32)29-17-20-10-13-25(28-16-20)31-14-4-5-15-31/h2-3,6-13,16,18H,4-5,14-15,17H2,1H3,(H,29,32).
What are the key properties of 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide?
2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide has a molecular weight of 438.53 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide is sourced from PubChem (CID 37481709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).