N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide

C16H13N3O2S — CID 37243915

IUPACN-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESCc1nc(-c2ccc(NC(=O)c3ccc[nH]c3=S)cc2)co1
InChIInChI=1S/C16H13N3O2S/c1-10-18-14(9-21-10)11-4-6-12(7-5-11)19-15(20)13-3-2-8-17-16(13)22/h2-9H,1H3,(H,17,22)(H,19,20)
InChIKeyYCVNUDCNNODZNG-UHFFFAOYSA-N
MW311.37 g/mol
LogP3.96
Rot. Bonds3

About N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide

N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide (PubChem CID 37243915) has the molecular formula C16H13N3O2S and a molecular weight of 311.37 g/mol. Its IUPAC name is N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
PubChem CID37243915
Molecular FormulaC16H13N3O2S
Molecular Weight311.37 g/mol
Exact Mass311.07
IUPAC NameN-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESCc1nc(-c2ccc(NC(=O)c3ccc[nH]c3=S)cc2)co1
InChIInChI=1S/C16H13N3O2S/c1-10-18-14(9-21-10)11-4-6-12(7-5-11)19-15(20)13-3-2-8-17-16(13)22/h2-9H,1H3,(H,17,22)(H,19,20)
InChIKeyYCVNUDCNNODZNG-UHFFFAOYSA-N
XLogP3.96
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-(4-tert-butylphenyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 23151044
5-bromo-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]furan-2-carboxamide
CID 60729952
2-bromo-2-methyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]propanamide
CID 114327857
2-methyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 30823773
4-[4-(2-methyl-1,3-oxazol-4-yl)anilino]-4-oxobutanoic acid
CID 60942171
N-[4-[[(2R)-oxolane-2-carbonyl]amino]phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 37395388
1-tert-butyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-1,2,4-triazole-3-carboxamide
CID 126816541
3-amino-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]butanamide
CID 60837809
5-hydroxy-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]pentanamide
CID 79199388
(3R)-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]piperidine-3-carboxamide
CID 81118348
5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]benzamide
CID 30873494
N-[4-(cyclopentylmethyl)phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 163492328

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide?
The IUPAC name of N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide (CID 37243915) is N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide is Cc1nc(-c2ccc(NC(=O)c3ccc[nH]c3=S)cc2)co1.
What is the InChIKey of N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide?
The InChIKey is YCVNUDCNNODZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2S/c1-10-18-14(9-21-10)11-4-6-12(7-5-11)19-15(20)13-3-2-8-17-16(13)22/h2-9H,1H3,(H,17,22)(H,19,20).
What are the key properties of N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide?
N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide has a molecular weight of 311.37 g/mol, XLogP of 3.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide is sourced from PubChem (CID 37243915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).