3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[2-methyl-5-(thiadiazol-4-yl)phenyl]propanamide

C19H15ClN4O3S — CID 46977507

IUPAC3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[2-methyl-5-(thiadiazol-4-yl)phenyl]propanamide
SMILESCc1ccc(-c2csnn2)cc1NC(=O)CCn1c(=O)oc2cc(Cl)ccc21
InChIInChI=1S/C19H15ClN4O3S/c1-11-2-3-12(15-10-28-23-22-15)8-14(11)21-18(25)6-7-24-16-5-4-13(20)9-17(16)27-19(24)26/h2-5,8-10H,6-7H2,1H3,(H,21,25)
InChIKeyREDPUDQYVJWYOV-UHFFFAOYSA-N
MW414.87 g/mol
LogP4.10
Rot. Bonds5

About 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[2-methyl-5-(thiadiazol-4-yl)phenyl]propanamide

3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[2-methyl-5-(thiadiazol-4-yl)phenyl]propanamide (PubChem CID 46977507) has the molecular formula C19H15ClN4O3S and a molecular weight of 414.87 g/mol. Its IUPAC name is 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[2-methyl-5-(thiadiazol-4-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[2-methyl-5-(thiadiazol-4-yl)phenyl]propanamide
PubChem CID46977507
Molecular FormulaC19H15ClN4O3S
Molecular Weight414.87 g/mol
Exact Mass414.06
IUPAC Name3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[2-methyl-5-(thiadiazol-4-yl)phenyl]propanamide
SMILESCc1ccc(-c2csnn2)cc1NC(=O)CCn1c(=O)oc2cc(Cl)ccc21
InChIInChI=1S/C19H15ClN4O3S/c1-11-2-3-12(15-10-28-23-22-15)8-14(11)21-18(25)6-7-24-16-5-4-13(20)9-17(16)27-19(24)26/h2-5,8-10H,6-7H2,1H3,(H,21,25)
InChIKeyREDPUDQYVJWYOV-UHFFFAOYSA-N
XLogP4.10
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.87
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)propanamide
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ethyl 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoate
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Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[2-methyl-5-(thiadiazol-4-yl)phenyl]propanamide?
The IUPAC name of 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[2-methyl-5-(thiadiazol-4-yl)phenyl]propanamide (CID 46977507) is 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[2-methyl-5-(thiadiazol-4-yl)phenyl]propanamide.
What is the SMILES notation for 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[2-methyl-5-(thiadiazol-4-yl)phenyl]propanamide?
The canonical SMILES for 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[2-methyl-5-(thiadiazol-4-yl)phenyl]propanamide is Cc1ccc(-c2csnn2)cc1NC(=O)CCn1c(=O)oc2cc(Cl)ccc21.
What is the InChIKey of 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[2-methyl-5-(thiadiazol-4-yl)phenyl]propanamide?
The InChIKey is REDPUDQYVJWYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O3S/c1-11-2-3-12(15-10-28-23-22-15)8-14(11)21-18(25)6-7-24-16-5-4-13(20)9-17(16)27-19(24)26/h2-5,8-10H,6-7H2,1H3,(H,21,25).
What are the key properties of 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[2-methyl-5-(thiadiazol-4-yl)phenyl]propanamide?
3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[2-methyl-5-(thiadiazol-4-yl)phenyl]propanamide has a molecular weight of 414.87 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[2-methyl-5-(thiadiazol-4-yl)phenyl]propanamide is sourced from PubChem (CID 46977507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).