N-(4-methylphenyl)sulfonyl-2-pyridin-3-yl-1,3-oxazole-4-carboxamide

C16H13N3O4S — CID 167967424

IUPACN-(4-methylphenyl)sulfonyl-2-pyridin-3-yl-1,3-oxazole-4-carboxamide
SMILESCc1ccc(S(=O)(=O)NC(=O)c2coc(-c3cccnc3)n2)cc1
InChIInChI=1S/C16H13N3O4S/c1-11-4-6-13(7-5-11)24(21,22)19-15(20)14-10-23-16(18-14)12-3-2-8-17-9-12/h2-10H,1H3,(H,19,20)
InChIKeyHAKFYAPQJYXWSE-UHFFFAOYSA-N
MW343.36 g/mol
LogP2.16
Rot. Bonds4

About N-(4-methylphenyl)sulfonyl-2-pyridin-3-yl-1,3-oxazole-4-carboxamide

N-(4-methylphenyl)sulfonyl-2-pyridin-3-yl-1,3-oxazole-4-carboxamide (PubChem CID 167967424) has the molecular formula C16H13N3O4S and a molecular weight of 343.36 g/mol. Its IUPAC name is N-(4-methylphenyl)sulfonyl-2-pyridin-3-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)sulfonyl-2-pyridin-3-yl-1,3-oxazole-4-carboxamide
PubChem CID167967424
Molecular FormulaC16H13N3O4S
Molecular Weight343.36 g/mol
Exact Mass343.06
IUPAC NameN-(4-methylphenyl)sulfonyl-2-pyridin-3-yl-1,3-oxazole-4-carboxamide
SMILESCc1ccc(S(=O)(=O)NC(=O)c2coc(-c3cccnc3)n2)cc1
InChIInChI=1S/C16H13N3O4S/c1-11-4-6-13(7-5-11)24(21,22)19-15(20)14-10-23-16(18-14)12-3-2-8-17-9-12/h2-10H,1H3,(H,19,20)
InChIKeyHAKFYAPQJYXWSE-UHFFFAOYSA-N
XLogP2.16
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)sulfonyl-2-pyridin-3-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(4-methylphenyl)sulfonyl-2-pyridin-3-yl-1,3-oxazole-4-carboxamide (CID 167967424) is N-(4-methylphenyl)sulfonyl-2-pyridin-3-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)sulfonyl-2-pyridin-3-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(4-methylphenyl)sulfonyl-2-pyridin-3-yl-1,3-oxazole-4-carboxamide is Cc1ccc(S(=O)(=O)NC(=O)c2coc(-c3cccnc3)n2)cc1.
What is the InChIKey of N-(4-methylphenyl)sulfonyl-2-pyridin-3-yl-1,3-oxazole-4-carboxamide?
The InChIKey is HAKFYAPQJYXWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O4S/c1-11-4-6-13(7-5-11)24(21,22)19-15(20)14-10-23-16(18-14)12-3-2-8-17-9-12/h2-10H,1H3,(H,19,20).
What are the key properties of N-(4-methylphenyl)sulfonyl-2-pyridin-3-yl-1,3-oxazole-4-carboxamide?
N-(4-methylphenyl)sulfonyl-2-pyridin-3-yl-1,3-oxazole-4-carboxamide has a molecular weight of 343.36 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)sulfonyl-2-pyridin-3-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 167967424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).