N-[2-(dimethylamino)-2-oxoethyl]-3-(1,3-thiazol-2-yl)-1,2-benzoxazole-6-carboxamide

C15H14N4O3S — CID 97407390

IUPACN-[2-(dimethylamino)-2-oxoethyl]-3-(1,3-thiazol-2-yl)-1,2-benzoxazole-6-carboxamide
SMILESCN(C)C(=O)CNC(=O)c1ccc2c(-c3nccs3)noc2c1
InChIInChI=1S/C15H14N4O3S/c1-19(2)12(20)8-17-14(21)9-3-4-10-11(7-9)22-18-13(10)15-16-5-6-23-15/h3-7H,8H2,1-2H3,(H,17,21)
InChIKeyPZRYCNKSKXABIT-UHFFFAOYSA-N
MW330.37 g/mol
LogP1.77
Rot. Bonds4

About N-[2-(dimethylamino)-2-oxoethyl]-3-(1,3-thiazol-2-yl)-1,2-benzoxazole-6-carboxamide

N-[2-(dimethylamino)-2-oxoethyl]-3-(1,3-thiazol-2-yl)-1,2-benzoxazole-6-carboxamide (PubChem CID 97407390) has the molecular formula C15H14N4O3S and a molecular weight of 330.37 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-oxoethyl]-3-(1,3-thiazol-2-yl)-1,2-benzoxazole-6-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-oxoethyl]-3-(1,3-thiazol-2-yl)-1,2-benzoxazole-6-carboxamide
PubChem CID97407390
Molecular FormulaC15H14N4O3S
Molecular Weight330.37 g/mol
Exact Mass330.08
IUPAC NameN-[2-(dimethylamino)-2-oxoethyl]-3-(1,3-thiazol-2-yl)-1,2-benzoxazole-6-carboxamide
SMILESCN(C)C(=O)CNC(=O)c1ccc2c(-c3nccs3)noc2c1
InChIInChI=1S/C15H14N4O3S/c1-19(2)12(20)8-17-14(21)9-3-4-10-11(7-9)22-18-13(10)15-16-5-6-23-15/h3-7H,8H2,1-2H3,(H,17,21)
InChIKeyPZRYCNKSKXABIT-UHFFFAOYSA-N
XLogP1.77
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-phenyl-N-[3-(1,3-thiazole-2-carbonylamino)propyl]-1,2-oxazole-3-carboxamide
CID 60167609
(S)-N-((S)-2-((S)-2-(4-(benzo[d]isoxazol-3-yl)thiazol-2-yl)pyrrolidin-1-yl)-1-cyclohexyl-2-oxoethyl)-2-(methylamino)propanamide
CID 46884477
5-phenyl-N-(2-(thiazole-2-carboxamido)ethyl)isoxazole-3-carboxamide
CID 60167711
(3S,6R)-4-[5-(4-fluorophenyl)-1,2-oxazole-3-carbonyl]-3-(2-methylpropyl)-6-(1,3-thiazol-2-yl)piperazin-2-one
CID 76325268
N-(2-pyrrolidin-1-ylethyl)-3-(1,3-thiazol-2-yl)-1,2-benzoxazole-6-carboxamide
CID 97407388
N-ethyl-N-methyl-2-(6-piperidin-1-yl-1,2-benzoxazol-3-yl)-1,3-thiazole-5-carboxamide
CID 97446643
N-[2-(dimethylamino)ethyl]-3-(1,3-thiazol-2-yl)-1,2-benzoxazole-6-carboxamide
CID 97526354
5-phenyl-N-[4-(1,3-thiazole-4-carbonylamino)butyl]-1,2-oxazole-3-carboxamide
CID 122190964
[4-(Dimethylamino)piperidin-1-yl]-[2-[6-(4-fluorophenyl)-1,2-benzoxazol-3-yl]-1,3-thiazol-5-yl]methanone
CID 97446669
1-(1,2-Benzoxazol-3-ylmethyl)-3-(1,3-thiazol-2-yl)urea
CID 6626032
5-Phenyl-N-(3-(thiazol-2-yl)propyl)isoxazole-3-carboxamide
CID 155387479
N-methyl-3-(2-phenylethyl)-N-(1,3-thiazol-2-ylmethyl)-5-isoxazolecarboxamide
CID 42326226

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-3-(1,3-thiazol-2-yl)-1,2-benzoxazole-6-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-3-(1,3-thiazol-2-yl)-1,2-benzoxazole-6-carboxamide (CID 97407390) is N-[2-(dimethylamino)-2-oxoethyl]-3-(1,3-thiazol-2-yl)-1,2-benzoxazole-6-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-oxoethyl]-3-(1,3-thiazol-2-yl)-1,2-benzoxazole-6-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-oxoethyl]-3-(1,3-thiazol-2-yl)-1,2-benzoxazole-6-carboxamide is CN(C)C(=O)CNC(=O)c1ccc2c(-c3nccs3)noc2c1.
What is the InChIKey of N-[2-(dimethylamino)-2-oxoethyl]-3-(1,3-thiazol-2-yl)-1,2-benzoxazole-6-carboxamide?
The InChIKey is PZRYCNKSKXABIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3S/c1-19(2)12(20)8-17-14(21)9-3-4-10-11(7-9)22-18-13(10)15-16-5-6-23-15/h3-7H,8H2,1-2H3,(H,17,21).
What are the key properties of N-[2-(dimethylamino)-2-oxoethyl]-3-(1,3-thiazol-2-yl)-1,2-benzoxazole-6-carboxamide?
N-[2-(dimethylamino)-2-oxoethyl]-3-(1,3-thiazol-2-yl)-1,2-benzoxazole-6-carboxamide has a molecular weight of 330.37 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-oxoethyl]-3-(1,3-thiazol-2-yl)-1,2-benzoxazole-6-carboxamide is sourced from PubChem (CID 97407390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).