N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide

C17H17N3O3S — CID 71995102

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(-c2ncc(C(=O)NCc3nc(C)c(C)o3)s2)cc1
InChIInChI=1S/C17H17N3O3S/c1-10-11(2)23-15(20-10)9-18-16(21)14-8-19-17(24-14)12-4-6-13(22-3)7-5-12/h4-8H,9H2,1-3H3,(H,18,21)
InChIKeyGHHYFJDGFDHPAY-UHFFFAOYSA-N
MW343.41 g/mol
LogP3.35
Rot. Bonds5

About N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide (PubChem CID 71995102) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide
PubChem CID71995102
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(-c2ncc(C(=O)NCc3nc(C)c(C)o3)s2)cc1
InChIInChI=1S/C17H17N3O3S/c1-10-11(2)23-15(20-10)9-18-16(21)14-8-19-17(24-14)12-4-6-13(22-3)7-5-12/h4-8H,9H2,1-3H3,(H,18,21)
InChIKeyGHHYFJDGFDHPAY-UHFFFAOYSA-N
XLogP3.35
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

N-benzyl-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide
CID 117084347
2-(4-methoxyphenyl)-1,3-thiazole-5-carbohydrazide
CID 82424257
6-[[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]amino]hexanoic acid
CID 119220256
2-(4-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide;hydrochloride
CID 119393111
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methylthiophene-2-carboxamide
CID 47344953
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethyl-2-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]guanidine;hydroiodide
CID 109431912
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3,4-dimethoxybenzamide
CID 87043417
amino 2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylate
CID 141145829
N-(1-aminohexan-2-yl)-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide
CID 119667279
2-[4-[[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]amino]oxan-4-yl]acetic acid
CID 119215655
N-[2-(4-methoxyphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
CID 117087862
3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methoxybenzamide
CID 106368813

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide (CID 71995102) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide is COc1ccc(-c2ncc(C(=O)NCc3nc(C)c(C)o3)s2)cc1.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is GHHYFJDGFDHPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-10-11(2)23-15(20-10)9-18-16(21)14-8-19-17(24-14)12-4-6-13(22-3)7-5-12/h4-8H,9H2,1-3H3,(H,18,21).
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 343.41 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 71995102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).