N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide

C18H16N6O3S — CID 38682339

IUPACN-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESCSc1nnnn1-c1cccc(NC(=O)CCn2c(=O)oc3ccccc32)c1
InChIInChI=1S/C18H16N6O3S/c1-28-17-20-21-22-24(17)13-6-4-5-12(11-13)19-16(25)9-10-23-14-7-2-3-8-15(14)27-18(23)26/h2-8,11H,9-10H2,1H3,(H,19,25)
InChIKeyHIBJJGRNQAZMSI-UHFFFAOYSA-N
MW396.43 g/mol
LogP2.32
Rot. Bonds6

About N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide

N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide (PubChem CID 38682339) has the molecular formula C18H16N6O3S and a molecular weight of 396.43 g/mol. Its IUPAC name is N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
PubChem CID38682339
Molecular FormulaC18H16N6O3S
Molecular Weight396.43 g/mol
Exact Mass396.10
IUPAC NameN-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESCSc1nnnn1-c1cccc(NC(=O)CCn2c(=O)oc3ccccc32)c1
InChIInChI=1S/C18H16N6O3S/c1-28-17-20-21-22-24(17)13-6-4-5-12(11-13)19-16(25)9-10-23-14-7-2-3-8-15(14)27-18(23)26/h2-8,11H,9-10H2,1H3,(H,19,25)
InChIKeyHIBJJGRNQAZMSI-UHFFFAOYSA-N
XLogP2.32
TPSA107.84 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.43
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(4-methylsulfanylphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 42370403
3-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(phenylcarbamoylamino)phenyl]propanamide
CID 55504169
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-3-thiophen-2-ylpropanamide
CID 38682016
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 38679670
2-(2-chlorophenyl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]acetamide
CID 38681198
4-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(propanoylamino)phenyl]butanamide
CID 46578619
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]pyridine-4-carboxamide
CID 51078036
N-(3-acetylphenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 4822292
N-(3,5-dimethoxyphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 7992559
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 55608809
4-iodo-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 38679629
2-(2-chloro-6-fluorophenyl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]acetamide
CID 38679864

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The IUPAC name of N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide (CID 38682339) is N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide.
What is the SMILES notation for N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The canonical SMILES for N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide is CSc1nnnn1-c1cccc(NC(=O)CCn2c(=O)oc3ccccc32)c1.
What is the InChIKey of N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The InChIKey is HIBJJGRNQAZMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O3S/c1-28-17-20-21-22-24(17)13-6-4-5-12(11-13)19-16(25)9-10-23-14-7-2-3-8-15(14)27-18(23)26/h2-8,11H,9-10H2,1H3,(H,19,25).
What are the key properties of N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide has a molecular weight of 396.43 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide is sourced from PubChem (CID 38682339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).