3-methyl-N-(1-naphthalen-1-ylethyl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide

C21H18N2O2S — CID 44522175

IUPAC3-methyl-N-(1-naphthalen-1-ylethyl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1noc(-c2cccs2)c1C(=O)NC(C)c1cccc2ccccc12
InChIInChI=1S/C21H18N2O2S/c1-13(16-10-5-8-15-7-3-4-9-17(15)16)22-21(24)19-14(2)23-25-20(19)18-11-6-12-26-18/h3-13H,1-2H3,(H,22,24)
InChIKeyWINOQDAVTRIZGP-UHFFFAOYSA-N
MW362.45 g/mol
LogP5.36
Rot. Bonds4

About 3-methyl-N-(1-naphthalen-1-ylethyl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide

3-methyl-N-(1-naphthalen-1-ylethyl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide (PubChem CID 44522175) has the molecular formula C21H18N2O2S and a molecular weight of 362.45 g/mol. Its IUPAC name is 3-methyl-N-(1-naphthalen-1-ylethyl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(1-naphthalen-1-ylethyl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide
PubChem CID44522175
Molecular FormulaC21H18N2O2S
Molecular Weight362.45 g/mol
Exact Mass362.11
IUPAC Name3-methyl-N-(1-naphthalen-1-ylethyl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1noc(-c2cccs2)c1C(=O)NC(C)c1cccc2ccccc12
InChIInChI=1S/C21H18N2O2S/c1-13(16-10-5-8-15-7-3-4-9-17(15)16)22-21(24)19-14(2)23-25-20(19)18-11-6-12-26-18/h3-13H,1-2H3,(H,22,24)
InChIKeyWINOQDAVTRIZGP-UHFFFAOYSA-N
XLogP5.36
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.45
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1-naphthalen-1-ylethyl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-methyl-N-(1-naphthalen-1-ylethyl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide (CID 44522175) is 3-methyl-N-(1-naphthalen-1-ylethyl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-methyl-N-(1-naphthalen-1-ylethyl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-methyl-N-(1-naphthalen-1-ylethyl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide is Cc1noc(-c2cccs2)c1C(=O)NC(C)c1cccc2ccccc12.
What is the InChIKey of 3-methyl-N-(1-naphthalen-1-ylethyl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide?
The InChIKey is WINOQDAVTRIZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2S/c1-13(16-10-5-8-15-7-3-4-9-17(15)16)22-21(24)19-14(2)23-25-20(19)18-11-6-12-26-18/h3-13H,1-2H3,(H,22,24).
What are the key properties of 3-methyl-N-(1-naphthalen-1-ylethyl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide?
3-methyl-N-(1-naphthalen-1-ylethyl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide has a molecular weight of 362.45 g/mol, XLogP of 5.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1-naphthalen-1-ylethyl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 44522175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).