3-pyridin-3-yl-N-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)propanamide

C15H13N3O2S — CID 164623316

IUPAC3-pyridin-3-yl-N-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)propanamide
SMILESO=C(CCc1cccnc1)Nc1ccc2[nH]c(=S)oc2c1
InChIInChI=1S/C15H13N3O2S/c19-14(6-3-10-2-1-7-16-9-10)17-11-4-5-12-13(8-11)20-15(21)18-12/h1-2,4-5,7-9H,3,6H2,(H,17,19)(H,18,21)
InChIKeyPDZSDIQLFHWPIC-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.46
Rot. Bonds4

About 3-pyridin-3-yl-N-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)propanamide

3-pyridin-3-yl-N-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)propanamide (PubChem CID 164623316) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is 3-pyridin-3-yl-N-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)propanamide.

Molecular Properties

Compound Name3-pyridin-3-yl-N-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)propanamide
PubChem CID164623316
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Name3-pyridin-3-yl-N-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)propanamide
SMILESO=C(CCc1cccnc1)Nc1ccc2[nH]c(=S)oc2c1
InChIInChI=1S/C15H13N3O2S/c19-14(6-3-10-2-1-7-16-9-10)17-11-4-5-12-13(8-11)20-15(21)18-12/h1-2,4-5,7-9H,3,6H2,(H,17,19)(H,18,21)
InChIKeyPDZSDIQLFHWPIC-UHFFFAOYSA-N
XLogP3.46
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-pyridin-3-yl-N-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)propanamide 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

N-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)-3-(1H-1,2,4-triazol-5-yl)propanamide
CID 99717199
N-(4-iodophenyl)-3-pyridin-3-ylpropanamide
CID 9206675
N-(3-acetylphenyl)-3-pyridin-3-ylpropanamide
CID 9209643
2-[4-(3-pyridin-3-ylpropanoylamino)phenyl]acetic acid
CID 43358510
N-[4-(cyclopropylcarbamoylamino)phenyl]-3-pyridin-3-ylpropanamide
CID 37294420
N-(4-fluoro-3-nitrophenyl)-3-pyridin-3-ylpropanamide
CID 9207905
N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-pyridin-3-ylpropanamide
CID 40686360
3-pyridin-3-yl-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)propanamide
CID 82133863
3-(4-methylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide
CID 110616374
N-(4-morpholin-4-ylphenyl)-3-pyridin-3-ylpropanamide
CID 35147983
N-(5-methyl-1,2-oxazol-3-yl)-3-pyridin-3-ylpropanamide
CID 110865452
N-[3-(2-aminoethoxy)phenyl]-3-pyridin-3-ylpropanamide
CID 81485538

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-yl-N-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)propanamide?
The IUPAC name of 3-pyridin-3-yl-N-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)propanamide (CID 164623316) is 3-pyridin-3-yl-N-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)propanamide.
What is the SMILES notation for 3-pyridin-3-yl-N-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)propanamide?
The canonical SMILES for 3-pyridin-3-yl-N-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)propanamide is O=C(CCc1cccnc1)Nc1ccc2[nH]c(=S)oc2c1.
What is the InChIKey of 3-pyridin-3-yl-N-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)propanamide?
The InChIKey is PDZSDIQLFHWPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c19-14(6-3-10-2-1-7-16-9-10)17-11-4-5-12-13(8-11)20-15(21)18-12/h1-2,4-5,7-9H,3,6H2,(H,17,19)(H,18,21).
What are the key properties of 3-pyridin-3-yl-N-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)propanamide?
3-pyridin-3-yl-N-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)propanamide has a molecular weight of 299.36 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-yl-N-(2-sulfanylidene-3H-1,3-benzoxazol-6-yl)propanamide is sourced from PubChem (CID 164623316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).