N-benzyl-3,5-dimethyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide

C18H18N2O2S — CID 23728068

IUPACN-benzyl-3,5-dimethyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)N(Cc1ccccc1)Cc1cccs1
InChIInChI=1S/C18H18N2O2S/c1-13-17(14(2)22-19-13)18(21)20(12-16-9-6-10-23-16)11-15-7-4-3-5-8-15/h3-10H,11-12H2,1-2H3
InChIKeyXMRDDBNNLORIPD-UHFFFAOYSA-N
MW326.42 g/mol
LogP4.20
Rot. Bonds5

About N-benzyl-3,5-dimethyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide

N-benzyl-3,5-dimethyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide (PubChem CID 23728068) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-benzyl-3,5-dimethyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-3,5-dimethyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide
PubChem CID23728068
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC NameN-benzyl-3,5-dimethyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)N(Cc1ccccc1)Cc1cccs1
InChIInChI=1S/C18H18N2O2S/c1-13-17(14(2)22-19-13)18(21)20(12-16-9-6-10-23-16)11-15-7-4-3-5-8-15/h3-10H,11-12H2,1-2H3
InChIKeyXMRDDBNNLORIPD-UHFFFAOYSA-N
XLogP4.20
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-3,5-dimethyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide
CID 18157870
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-bis(thiophen-2-ylmethyl)propanamide
CID 78806436
N,N-dibenzyl-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 4651566
N-benzyl-N-(2-hydroxyethyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 78795967
[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-propylazanium
CID 7417837
N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 39911879
N-[3-[benzyl(methyl)amino]propyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 31588216
N,N-bis(thiophen-2-ylmethyl)furan-2-carboxamide
CID 60682593
[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-butylazanium
CID 7263471
[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-[(2R)-butan-2-yl]azanium
CID 7439225
N-(2-amino-2-oxoethyl)-N-(thiophen-2-ylmethyl)benzamide;benzene
CID 144887997
N-[(3-fluorophenyl)methyl]-3,5-dimethyl-N-(oxolan-2-ylmethyl)-1,2-oxazole-4-carboxamide
CID 71935038

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3,5-dimethyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of N-benzyl-3,5-dimethyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide (CID 23728068) is N-benzyl-3,5-dimethyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-benzyl-3,5-dimethyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-benzyl-3,5-dimethyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)N(Cc1ccccc1)Cc1cccs1.
What is the InChIKey of N-benzyl-3,5-dimethyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide?
The InChIKey is XMRDDBNNLORIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-13-17(14(2)22-19-13)18(21)20(12-16-9-6-10-23-16)11-15-7-4-3-5-8-15/h3-10H,11-12H2,1-2H3.
What are the key properties of N-benzyl-3,5-dimethyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide?
N-benzyl-3,5-dimethyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide has a molecular weight of 326.42 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3,5-dimethyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 23728068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).