N-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazole-5-carboxamide

C16H15N3O2S — CID 117082823

IUPACN-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazole-5-carboxamide
SMILESCc1noc(C)c1-c1ncc(C(=O)NCc2ccccc2)s1
InChIInChI=1S/C16H15N3O2S/c1-10-14(11(2)21-19-10)16-18-9-13(22-16)15(20)17-8-12-6-4-3-5-7-12/h3-7,9H,8H2,1-2H3,(H,17,20)
InChIKeyZAVDAIWNCKDPDK-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.34
Rot. Bonds4

About N-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazole-5-carboxamide

N-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazole-5-carboxamide (PubChem CID 117082823) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is N-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazole-5-carboxamide
PubChem CID117082823
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC NameN-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazole-5-carboxamide
SMILESCc1noc(C)c1-c1ncc(C(=O)NCc2ccccc2)s1
InChIInChI=1S/C16H15N3O2S/c1-10-14(11(2)21-19-10)16-18-9-13(22-16)15(20)17-8-12-6-4-3-5-7-12/h3-7,9H,8H2,1-2H3,(H,17,20)
InChIKeyZAVDAIWNCKDPDK-UHFFFAOYSA-N
XLogP3.34
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

15-(3,5-Dimethyl-1,2-oxazol-4-yl)-13-(4-methyl-1,3-thiazol-2-yl)-4,11-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,13-pentaen-12-one
CID 44291308
(3,5-Dimethyl-1,2-oxazol-4-yl)-[4-[[1,3-thiazol-5-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone
CID 56662422
US9776991, Example 165
CID 118112522
US9776991, Example 160
CID 118112577
5-{[benzyl(methyl)amino]methyl}-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]isoxazole-3-carboxamide
CID 56753053
N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 172438810
[2-[(3,5-Dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-pyridinyl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 16260644
5-Phenyl-N-(3-(thiazol-2-yl)propyl)isoxazole-3-carboxamide
CID 155387479
N-(5-benzyl-1,3-thiazol-2-yl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 17460464
N-((5-(4-fluorophenyl)isoxazol-3-yl)methyl)-2,4-dimethylthiazole-5-carboxamide
CID 45511193
3,5-dimethyl-N-((5-(thiophen-3-yl)pyridin-3-yl)methyl)isoxazole-4-carboxamide
CID 76151108
5-ethyl-3-methyl-N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]-1,2-oxazole-4-carboxamide
CID 86798378

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazole-5-carboxamide (CID 117082823) is N-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazole-5-carboxamide is Cc1noc(C)c1-c1ncc(C(=O)NCc2ccccc2)s1.
What is the InChIKey of N-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is ZAVDAIWNCKDPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-10-14(11(2)21-19-10)16-18-9-13(22-16)15(20)17-8-12-6-4-3-5-7-12/h3-7,9H,8H2,1-2H3,(H,17,20).
What are the key properties of N-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazole-5-carboxamide?
N-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 313.38 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 117082823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).