N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

C16H17N3O3S — CID 2220137

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCC(C)(C)c1csc(NC(=O)Cn2c(=O)oc3ccccc32)n1
InChIInChI=1S/C16H17N3O3S/c1-16(2,3)12-9-23-14(17-12)18-13(20)8-19-10-6-4-5-7-11(10)22-15(19)21/h4-7,9H,8H2,1-3H3,(H,17,18,20)
InChIKeyPQMQFSAVXGKIQE-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.99
Rot. Bonds3

About N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (PubChem CID 2220137) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
PubChem CID2220137
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCC(C)(C)c1csc(NC(=O)Cn2c(=O)oc3ccccc32)n1
InChIInChI=1S/C16H17N3O3S/c1-16(2,3)12-9-23-14(17-12)18-13(20)8-19-10-6-4-5-7-11(10)22-15(19)21/h4-7,9H,8H2,1-3H3,(H,17,18,20)
InChIKeyPQMQFSAVXGKIQE-UHFFFAOYSA-N
XLogP2.99
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (CID 2220137) is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is CC(C)(C)c1csc(NC(=O)Cn2c(=O)oc3ccccc32)n1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The InChIKey is PQMQFSAVXGKIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-16(2,3)12-9-23-14(17-12)18-13(20)8-19-10-6-4-5-7-11(10)22-15(19)21/h4-7,9H,8H2,1-3H3,(H,17,18,20).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide has a molecular weight of 331.40 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 2220137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).