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

C17H19N3O2S — CID 175777888

IUPACN-[(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCC2=NOC(Cc3ccccc3)C2)s1
InChIInChI=1S/C17H19N3O2S/c1-11-16(23-12(2)19-11)17(21)18-10-14-9-15(22-20-14)8-13-6-4-3-5-7-13/h3-7,15H,8-10H2,1-2H3,(H,18,21)
InChIKeyNXLHSCARQDNQEQ-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.88
Rot. Bonds5

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

N-[(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 175777888) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is N-[(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID175777888
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC NameN-[(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCC2=NOC(Cc3ccccc3)C2)s1
InChIInChI=1S/C17H19N3O2S/c1-11-16(23-12(2)19-11)17(21)18-10-14-9-15(22-20-14)8-13-6-4-3-5-7-13/h3-7,15H,8-10H2,1-2H3,(H,18,21)
InChIKeyNXLHSCARQDNQEQ-UHFFFAOYSA-N
XLogP2.88
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-[(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)methyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 175777932
2,4-dimethyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-1,3-thiazole-5-carboxamide
CID 90546337
N-[(2-methoxyphenyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 26734258
3-(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)propanoic acid
CID 14616477
N-(2-hydroxy-2-phenylethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 43394006
5-[[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]methyl]thiophene-2-carboxylic acid
CID 122111081
methyl 3-[[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]methyl]benzoate
CID 71971159
2,4-dimethyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 86986197
N-benzyl-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 91573654
2,4-dimethyl-N-[(5-sulfamoylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 47099010
N-benzyl-4-methyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 110386459
2,4-dimethyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-1,3-thiazole-5-carboxamide
CID 75477078

Frequently Asked Questions

What is the IUPAC name of N-[(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide (CID 175777888) is N-[(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)NCC2=NOC(Cc3ccccc3)C2)s1.
What is the InChIKey of N-[(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is NXLHSCARQDNQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-11-16(23-12(2)19-11)17(21)18-10-14-9-15(22-20-14)8-13-6-4-3-5-7-13/h3-7,15H,8-10H2,1-2H3,(H,18,21).
What are the key properties of N-[(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
N-[(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 329.43 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 175777888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).