3-[3-(4-methylphenyl)-1,2-oxazol-4-yl]-N-(thiophen-2-ylmethyl)propanamide

C18H18N2O2S — CID 71839823

IUPAC3-[3-(4-methylphenyl)-1,2-oxazol-4-yl]-N-(thiophen-2-ylmethyl)propanamide
SMILESCc1ccc(-c2nocc2CCC(=O)NCc2cccs2)cc1
InChIInChI=1S/C18H18N2O2S/c1-13-4-6-14(7-5-13)18-15(12-22-20-18)8-9-17(21)19-11-16-3-2-10-23-16/h2-7,10,12H,8-9,11H2,1H3,(H,19,21)
InChIKeyIPSKGHKIGFOOIB-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.96
Rot. Bonds6

About 3-[3-(4-methylphenyl)-1,2-oxazol-4-yl]-N-(thiophen-2-ylmethyl)propanamide

3-[3-(4-methylphenyl)-1,2-oxazol-4-yl]-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 71839823) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is 3-[3-(4-methylphenyl)-1,2-oxazol-4-yl]-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[3-(4-methylphenyl)-1,2-oxazol-4-yl]-N-(thiophen-2-ylmethyl)propanamide
PubChem CID71839823
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC Name3-[3-(4-methylphenyl)-1,2-oxazol-4-yl]-N-(thiophen-2-ylmethyl)propanamide
SMILESCc1ccc(-c2nocc2CCC(=O)NCc2cccs2)cc1
InChIInChI=1S/C18H18N2O2S/c1-13-4-6-14(7-5-13)18-15(12-22-20-18)8-9-17(21)19-11-16-3-2-10-23-16/h2-7,10,12H,8-9,11H2,1H3,(H,19,21)
InChIKeyIPSKGHKIGFOOIB-UHFFFAOYSA-N
XLogP3.96
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methylphenyl)methyl]-3-[3-(4-methylphenyl)-1,2-oxazol-4-yl]propanamide
CID 71839834
N-[(2,5-dimethylphenyl)methyl]-3-[3-(3-methylphenyl)-1,2-oxazol-4-yl]propanamide
CID 71839791
N-[(2-methylphenyl)methyl]-3-[3-(3-methylphenyl)-1,2-oxazol-4-yl]propanamide
CID 71839806
3-(3-phenyl-1,2-oxazol-4-yl)-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 71839854
N-[(4-chlorophenyl)methyl]-3-[3-(3-methylphenyl)-1,2-oxazol-4-yl]propanamide
CID 71839812
3-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 71839755
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(thiophen-2-ylmethyl)propanamide
CID 51219329
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(thiophen-2-ylmethyl)propanamide
CID 29213758
N-[(4-methylphenyl)methyl]-5-thiophen-2-ylpentanamide
CID 4290554
N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]-2-thiophen-2-ylacetamide
CID 16866683
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
N-[(2-chloro-4-fluorophenyl)methyl]-3-(3-phenyl-1,2-oxazol-4-yl)propanamide
CID 71839873

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methylphenyl)-1,2-oxazol-4-yl]-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of 3-[3-(4-methylphenyl)-1,2-oxazol-4-yl]-N-(thiophen-2-ylmethyl)propanamide (CID 71839823) is 3-[3-(4-methylphenyl)-1,2-oxazol-4-yl]-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[3-(4-methylphenyl)-1,2-oxazol-4-yl]-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for 3-[3-(4-methylphenyl)-1,2-oxazol-4-yl]-N-(thiophen-2-ylmethyl)propanamide is Cc1ccc(-c2nocc2CCC(=O)NCc2cccs2)cc1.
What is the InChIKey of 3-[3-(4-methylphenyl)-1,2-oxazol-4-yl]-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is IPSKGHKIGFOOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-13-4-6-14(7-5-13)18-15(12-22-20-18)8-9-17(21)19-11-16-3-2-10-23-16/h2-7,10,12H,8-9,11H2,1H3,(H,19,21).
What are the key properties of 3-[3-(4-methylphenyl)-1,2-oxazol-4-yl]-N-(thiophen-2-ylmethyl)propanamide?
3-[3-(4-methylphenyl)-1,2-oxazol-4-yl]-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 326.42 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methylphenyl)-1,2-oxazol-4-yl]-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 71839823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).