N-benzyl-4-methyl-3-[1,3-oxazol-2-yl(pyridin-4-yl)amino]benzamide

C23H20N4O2 — CID 91340129

IUPACN-benzyl-4-methyl-3-[1,3-oxazol-2-yl(pyridin-4-yl)amino]benzamide
SMILESCc1ccc(C(=O)NCc2ccccc2)cc1N(c1ccncc1)c1ncco1
InChIInChI=1S/C23H20N4O2/c1-17-7-8-19(22(28)26-16-18-5-3-2-4-6-18)15-21(17)27(23-25-13-14-29-23)20-9-11-24-12-10-20/h2-15H,16H2,1H3,(H,26,28)
InChIKeyPSFOEUZVDABBRN-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.78
Rot. Bonds6

About N-benzyl-4-methyl-3-[1,3-oxazol-2-yl(pyridin-4-yl)amino]benzamide

N-benzyl-4-methyl-3-[1,3-oxazol-2-yl(pyridin-4-yl)amino]benzamide (PubChem CID 91340129) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-benzyl-4-methyl-3-[1,3-oxazol-2-yl(pyridin-4-yl)amino]benzamide.

Molecular Properties

Compound NameN-benzyl-4-methyl-3-[1,3-oxazol-2-yl(pyridin-4-yl)amino]benzamide
PubChem CID91340129
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC NameN-benzyl-4-methyl-3-[1,3-oxazol-2-yl(pyridin-4-yl)amino]benzamide
SMILESCc1ccc(C(=O)NCc2ccccc2)cc1N(c1ccncc1)c1ncco1
InChIInChI=1S/C23H20N4O2/c1-17-7-8-19(22(28)26-16-18-5-3-2-4-6-18)15-21(17)27(23-25-13-14-29-23)20-9-11-24-12-10-20/h2-15H,16H2,1H3,(H,26,28)
InChIKeyPSFOEUZVDABBRN-UHFFFAOYSA-N
XLogP4.78
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[N,4-dimethyl-3-[1,3-oxazol-2-yl(pyridin-4-yl)amino]anilino]acetyl]benzonitrile
CID 91115942
3-methoxy-4-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 23530638
N-benzylpyridine-4-carboxamide;hydrochloride
CID 110755427
2-N-[(2-methylphenyl)methyl]-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085604
3-amino-N-benzyl-4-methylbenzamide
CID 12607982
2-N-benzyl-4-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085391
5-[benzyl(methyl)amino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109233157
3-[[[4-methyl-3-(4-methyl-N-sulfinatoanilino)benzoyl]amino]methyl]pyridine
CID 175218398
4-bromo-3-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 113338678
4-N-benzyl-4-N-methyl-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide
CID 109047086
2-amino-N-benzylpyridine-4-carboxamide
CID 18752897
3-[[[4-methyl-3-[N-sulfinato-4-(trifluoromethyl)anilino]benzoyl]amino]methyl]pyridine
CID 175220185

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-methyl-3-[1,3-oxazol-2-yl(pyridin-4-yl)amino]benzamide?
The IUPAC name of N-benzyl-4-methyl-3-[1,3-oxazol-2-yl(pyridin-4-yl)amino]benzamide (CID 91340129) is N-benzyl-4-methyl-3-[1,3-oxazol-2-yl(pyridin-4-yl)amino]benzamide.
What is the SMILES notation for N-benzyl-4-methyl-3-[1,3-oxazol-2-yl(pyridin-4-yl)amino]benzamide?
The canonical SMILES for N-benzyl-4-methyl-3-[1,3-oxazol-2-yl(pyridin-4-yl)amino]benzamide is Cc1ccc(C(=O)NCc2ccccc2)cc1N(c1ccncc1)c1ncco1.
What is the InChIKey of N-benzyl-4-methyl-3-[1,3-oxazol-2-yl(pyridin-4-yl)amino]benzamide?
The InChIKey is PSFOEUZVDABBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-17-7-8-19(22(28)26-16-18-5-3-2-4-6-18)15-21(17)27(23-25-13-14-29-23)20-9-11-24-12-10-20/h2-15H,16H2,1H3,(H,26,28).
What are the key properties of N-benzyl-4-methyl-3-[1,3-oxazol-2-yl(pyridin-4-yl)amino]benzamide?
N-benzyl-4-methyl-3-[1,3-oxazol-2-yl(pyridin-4-yl)amino]benzamide has a molecular weight of 384.44 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-methyl-3-[1,3-oxazol-2-yl(pyridin-4-yl)amino]benzamide is sourced from PubChem (CID 91340129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).