5-methyl-3-phenyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide

C16H14N2O2S — CID 2165768

IUPAC5-methyl-3-phenyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)NCc1cccs1
InChIInChI=1S/C16H14N2O2S/c1-11-14(16(19)17-10-13-8-5-9-21-13)15(18-20-11)12-6-3-2-4-7-12/h2-9H,10H2,1H3,(H,17,19)
InChIKeyZHFORBKBSFMFLR-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.64
Rot. Bonds4

About 5-methyl-3-phenyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide

5-methyl-3-phenyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide (PubChem CID 2165768) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 5-methyl-3-phenyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-3-phenyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide
PubChem CID2165768
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name5-methyl-3-phenyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)NCc1cccs1
InChIInChI=1S/C16H14N2O2S/c1-11-14(16(19)17-10-13-8-5-9-21-13)15(18-20-11)12-6-3-2-4-7-12/h2-9H,10H2,1H3,(H,17,19)
InChIKeyZHFORBKBSFMFLR-UHFFFAOYSA-N
XLogP3.64
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-phenyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-3-phenyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide (CID 2165768) is 5-methyl-3-phenyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-3-phenyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-3-phenyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2)c1C(=O)NCc1cccs1.
What is the InChIKey of 5-methyl-3-phenyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide?
The InChIKey is ZHFORBKBSFMFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-11-14(16(19)17-10-13-8-5-9-21-13)15(18-20-11)12-6-3-2-4-7-12/h2-9H,10H2,1H3,(H,17,19).
What are the key properties of 5-methyl-3-phenyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide?
5-methyl-3-phenyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide has a molecular weight of 298.37 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-phenyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 2165768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).