N-(benzylcarbamoyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide

C16H19N3O3S — CID 51106410

IUPACN-(benzylcarbamoyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide
SMILESCc1nc(SCCC(=O)NC(=O)NCc2ccccc2)oc1C
InChIInChI=1S/C16H19N3O3S/c1-11-12(2)22-16(18-11)23-9-8-14(20)19-15(21)17-10-13-6-4-3-5-7-13/h3-7H,8-10H2,1-2H3,(H2,17,19,20,21)
InChIKeyMCJXAXBPLIALHC-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.80
Rot. Bonds6

About N-(benzylcarbamoyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide

N-(benzylcarbamoyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide (PubChem CID 51106410) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is N-(benzylcarbamoyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound NameN-(benzylcarbamoyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide
PubChem CID51106410
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC NameN-(benzylcarbamoyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide
SMILESCc1nc(SCCC(=O)NC(=O)NCc2ccccc2)oc1C
InChIInChI=1S/C16H19N3O3S/c1-11-12(2)22-16(18-11)23-9-8-14(20)19-15(21)17-10-13-6-4-3-5-7-13/h3-7H,8-10H2,1-2H3,(H2,17,19,20,21)
InChIKeyMCJXAXBPLIALHC-UHFFFAOYSA-N
XLogP2.80
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanehydrazide
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N-(benzylcarbamoyl)-3-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
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N-(2-amino-4-chlorophenyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(benzylcarbamoyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide?
The IUPAC name of N-(benzylcarbamoyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide (CID 51106410) is N-(benzylcarbamoyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide.
What is the SMILES notation for N-(benzylcarbamoyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide?
The canonical SMILES for N-(benzylcarbamoyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide is Cc1nc(SCCC(=O)NC(=O)NCc2ccccc2)oc1C.
What is the InChIKey of N-(benzylcarbamoyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide?
The InChIKey is MCJXAXBPLIALHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-11-12(2)22-16(18-11)23-9-8-14(20)19-15(21)17-10-13-6-4-3-5-7-13/h3-7H,8-10H2,1-2H3,(H2,17,19,20,21).
What are the key properties of N-(benzylcarbamoyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide?
N-(benzylcarbamoyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide has a molecular weight of 333.41 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylcarbamoyl)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 51106410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).