N-methyl-N-[4-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]phenyl]-1,3-oxazole-4-carboxamide

C24H20N4O3 — CID 153360818

IUPACN-methyl-N-[4-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]phenyl]-1,3-oxazole-4-carboxamide
SMILESCN(C(=O)c1cocn1)c1ccc(-c2ccc(C(=O)NCc3cccnc3)cc2)cc1
InChIInChI=1S/C24H20N4O3/c1-28(24(30)22-15-31-16-27-22)21-10-8-19(9-11-21)18-4-6-20(7-5-18)23(29)26-14-17-3-2-12-25-13-17/h2-13,15-16H,14H2,1H3,(H,26,29)
InChIKeyIBYUCGBSHVTFKP-UHFFFAOYSA-N
MW412.45 g/mol
LogP3.94
Rot. Bonds6

About N-methyl-N-[4-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]phenyl]-1,3-oxazole-4-carboxamide

N-methyl-N-[4-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]phenyl]-1,3-oxazole-4-carboxamide (PubChem CID 153360818) has the molecular formula C24H20N4O3 and a molecular weight of 412.45 g/mol. Its IUPAC name is N-methyl-N-[4-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]phenyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[4-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]phenyl]-1,3-oxazole-4-carboxamide
PubChem CID153360818
Molecular FormulaC24H20N4O3
Molecular Weight412.45 g/mol
Exact Mass412.15
IUPAC NameN-methyl-N-[4-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]phenyl]-1,3-oxazole-4-carboxamide
SMILESCN(C(=O)c1cocn1)c1ccc(-c2ccc(C(=O)NCc3cccnc3)cc2)cc1
InChIInChI=1S/C24H20N4O3/c1-28(24(30)22-15-31-16-27-22)21-10-8-19(9-11-21)18-4-6-20(7-5-18)23(29)26-14-17-3-2-12-25-13-17/h2-13,15-16H,14H2,1H3,(H,26,29)
InChIKeyIBYUCGBSHVTFKP-UHFFFAOYSA-N
XLogP3.94
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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4-[4-(propanoylamino)phenyl]-N-(pyridin-3-ylmethyl)benzamide
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N-(pyridin-3-ylmethyl)-4-(1,3-thiazol-2-yl)benzamide
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4-[ethyl(ethylsulfonyl)amino]-N-(pyridin-3-ylmethyl)benzamide
CID 50945648
4-ethoxy-N-(pyridin-3-ylmethyl)benzamide
CID 673607
4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-(pyridin-3-ylmethyl)benzamide;molecular hydrogen
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4-(aminomethyl)-N-(pyridin-3-ylmethyl)benzamide
CID 28545926
N-(pyridin-3-ylmethyl)-4-(pyrrolidine-1-carbonyl)benzamide
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4-(ethylamino)-N-(pyridin-3-ylmethyl)benzamide
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CID 4801676

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]phenyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-methyl-N-[4-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]phenyl]-1,3-oxazole-4-carboxamide (CID 153360818) is N-methyl-N-[4-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]phenyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-methyl-N-[4-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]phenyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-methyl-N-[4-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]phenyl]-1,3-oxazole-4-carboxamide is CN(C(=O)c1cocn1)c1ccc(-c2ccc(C(=O)NCc3cccnc3)cc2)cc1.
What is the InChIKey of N-methyl-N-[4-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]phenyl]-1,3-oxazole-4-carboxamide?
The InChIKey is IBYUCGBSHVTFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O3/c1-28(24(30)22-15-31-16-27-22)21-10-8-19(9-11-21)18-4-6-20(7-5-18)23(29)26-14-17-3-2-12-25-13-17/h2-13,15-16H,14H2,1H3,(H,26,29).
What are the key properties of N-methyl-N-[4-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]phenyl]-1,3-oxazole-4-carboxamide?
N-methyl-N-[4-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]phenyl]-1,3-oxazole-4-carboxamide has a molecular weight of 412.45 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]phenyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 153360818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).