N-(4-methyl-1,3-thiazol-2-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide

C14H13N3O3S — CID 3240832

IUPACN-(4-methyl-1,3-thiazol-2-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESCc1csc(NC(=O)CCn2c(=O)oc3ccccc32)n1
InChIInChI=1S/C14H13N3O3S/c1-9-8-21-13(15-9)16-12(18)6-7-17-10-4-2-3-5-11(10)20-14(17)19/h2-5,8H,6-7H2,1H3,(H,15,16,18)
InChIKeyRJJPQQWIHBQIEV-UHFFFAOYSA-N
MW303.34 g/mol
LogP2.39
Rot. Bonds4

About N-(4-methyl-1,3-thiazol-2-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide

N-(4-methyl-1,3-thiazol-2-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide (PubChem CID 3240832) has the molecular formula C14H13N3O3S and a molecular weight of 303.34 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
PubChem CID3240832
Molecular FormulaC14H13N3O3S
Molecular Weight303.34 g/mol
Exact Mass303.07
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESCc1csc(NC(=O)CCn2c(=O)oc3ccccc32)n1
InChIInChI=1S/C14H13N3O3S/c1-9-8-21-13(15-9)16-12(18)6-7-17-10-4-2-3-5-11(10)20-14(17)19/h2-5,8H,6-7H2,1H3,(H,15,16,18)
InChIKeyRJJPQQWIHBQIEV-UHFFFAOYSA-N
XLogP2.39
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide (CID 3240832) is N-(4-methyl-1,3-thiazol-2-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide is Cc1csc(NC(=O)CCn2c(=O)oc3ccccc32)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The InChIKey is RJJPQQWIHBQIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3S/c1-9-8-21-13(15-9)16-12(18)6-7-17-10-4-2-3-5-11(10)20-14(17)19/h2-5,8H,6-7H2,1H3,(H,15,16,18).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
N-(4-methyl-1,3-thiazol-2-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide has a molecular weight of 303.34 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide is sourced from PubChem (CID 3240832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).