N-(5-tert-butyl-1,3-thiazol-2-yl)-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide

C16H17N3O3S — CID 132971353

IUPACN-(5-tert-butyl-1,3-thiazol-2-yl)-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide
SMILESCn1c(=O)oc2c(C(=O)Nc3ncc(C(C)(C)C)s3)cccc21
InChIInChI=1S/C16H17N3O3S/c1-16(2,3)11-8-17-14(23-11)18-13(20)9-6-5-7-10-12(9)22-15(21)19(10)4/h5-8H,1-4H3,(H,17,18,20)
InChIKeyYMDXFKAMCIPFFA-UHFFFAOYSA-N
MW331.40 g/mol
LogP3.14
Rot. Bonds2

About N-(5-tert-butyl-1,3-thiazol-2-yl)-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide

N-(5-tert-butyl-1,3-thiazol-2-yl)-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide (PubChem CID 132971353) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is N-(5-tert-butyl-1,3-thiazol-2-yl)-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,3-thiazol-2-yl)-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide
PubChem CID132971353
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC NameN-(5-tert-butyl-1,3-thiazol-2-yl)-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide
SMILESCn1c(=O)oc2c(C(=O)Nc3ncc(C(C)(C)C)s3)cccc21
InChIInChI=1S/C16H17N3O3S/c1-16(2,3)11-8-17-14(23-11)18-13(20)9-6-5-7-10-12(9)22-15(21)19(10)4/h5-8H,1-4H3,(H,17,18,20)
InChIKeyYMDXFKAMCIPFFA-UHFFFAOYSA-N
XLogP3.14
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,3-thiazol-2-yl)-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide?
The IUPAC name of N-(5-tert-butyl-1,3-thiazol-2-yl)-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide (CID 132971353) is N-(5-tert-butyl-1,3-thiazol-2-yl)-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-1,3-thiazol-2-yl)-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide?
The canonical SMILES for N-(5-tert-butyl-1,3-thiazol-2-yl)-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide is Cn1c(=O)oc2c(C(=O)Nc3ncc(C(C)(C)C)s3)cccc21.
What is the InChIKey of N-(5-tert-butyl-1,3-thiazol-2-yl)-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide?
The InChIKey is YMDXFKAMCIPFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-16(2,3)11-8-17-14(23-11)18-13(20)9-6-5-7-10-12(9)22-15(21)19(10)4/h5-8H,1-4H3,(H,17,18,20).
What are the key properties of N-(5-tert-butyl-1,3-thiazol-2-yl)-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide?
N-(5-tert-butyl-1,3-thiazol-2-yl)-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide has a molecular weight of 331.40 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,3-thiazol-2-yl)-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide is sourced from PubChem (CID 132971353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).