N-[5-chloro-2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-3-pyridin-2-ylsulfanylpropanamide

C17H16ClN3O2S — CID 24986699

IUPACN-[5-chloro-2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-3-pyridin-2-ylsulfanylpropanamide
SMILESO=C(CCSc1ccccn1)Nc1cc(Cl)ccc1C1=NCCO1
InChIInChI=1S/C17H16ClN3O2S/c18-12-4-5-13(17-20-8-9-23-17)14(11-12)21-15(22)6-10-24-16-3-1-2-7-19-16/h1-5,7,11H,6,8-10H2,(H,21,22)
InChIKeyDMXYISUBAZCDOH-UHFFFAOYSA-N
MW361.85 g/mol
LogP3.63
Rot. Bonds6

About N-[5-chloro-2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-3-pyridin-2-ylsulfanylpropanamide

N-[5-chloro-2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-3-pyridin-2-ylsulfanylpropanamide (PubChem CID 24986699) has the molecular formula C17H16ClN3O2S and a molecular weight of 361.85 g/mol. Its IUPAC name is N-[5-chloro-2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-3-pyridin-2-ylsulfanylpropanamide.

Molecular Properties

Compound NameN-[5-chloro-2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-3-pyridin-2-ylsulfanylpropanamide
PubChem CID24986699
Molecular FormulaC17H16ClN3O2S
Molecular Weight361.85 g/mol
Exact Mass361.07
IUPAC NameN-[5-chloro-2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-3-pyridin-2-ylsulfanylpropanamide
SMILESO=C(CCSc1ccccn1)Nc1cc(Cl)ccc1C1=NCCO1
InChIInChI=1S/C17H16ClN3O2S/c18-12-4-5-13(17-20-8-9-23-17)14(11-12)21-15(22)6-10-24-16-3-1-2-7-19-16/h1-5,7,11H,6,8-10H2,(H,21,22)
InChIKeyDMXYISUBAZCDOH-UHFFFAOYSA-N
XLogP3.63
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.85
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-3-pyridin-2-ylsulfanylpropanamide?
The IUPAC name of N-[5-chloro-2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-3-pyridin-2-ylsulfanylpropanamide (CID 24986699) is N-[5-chloro-2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-3-pyridin-2-ylsulfanylpropanamide.
What is the SMILES notation for N-[5-chloro-2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-3-pyridin-2-ylsulfanylpropanamide?
The canonical SMILES for N-[5-chloro-2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-3-pyridin-2-ylsulfanylpropanamide is O=C(CCSc1ccccn1)Nc1cc(Cl)ccc1C1=NCCO1.
What is the InChIKey of N-[5-chloro-2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-3-pyridin-2-ylsulfanylpropanamide?
The InChIKey is DMXYISUBAZCDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2S/c18-12-4-5-13(17-20-8-9-23-17)14(11-12)21-15(22)6-10-24-16-3-1-2-7-19-16/h1-5,7,11H,6,8-10H2,(H,21,22).
What are the key properties of N-[5-chloro-2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-3-pyridin-2-ylsulfanylpropanamide?
N-[5-chloro-2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-3-pyridin-2-ylsulfanylpropanamide has a molecular weight of 361.85 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-3-pyridin-2-ylsulfanylpropanamide is sourced from PubChem (CID 24986699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).