N-[4-[4-(4-methylphenyl)-1,3-oxazol-2-yl]phenyl]thiophene-2-carboxamide

C21H16N2O2S — CID 46392768

IUPACN-[4-[4-(4-methylphenyl)-1,3-oxazol-2-yl]phenyl]thiophene-2-carboxamide
SMILESCc1ccc(-c2coc(-c3ccc(NC(=O)c4cccs4)cc3)n2)cc1
InChIInChI=1S/C21H16N2O2S/c1-14-4-6-15(7-5-14)18-13-25-21(23-18)16-8-10-17(11-9-16)22-20(24)19-3-2-12-26-19/h2-13H,1H3,(H,22,24)
InChIKeyWKNUWXPOTUSLRW-UHFFFAOYSA-N
MW360.44 g/mol
LogP5.63
Rot. Bonds4

About N-[4-[4-(4-methylphenyl)-1,3-oxazol-2-yl]phenyl]thiophene-2-carboxamide

N-[4-[4-(4-methylphenyl)-1,3-oxazol-2-yl]phenyl]thiophene-2-carboxamide (PubChem CID 46392768) has the molecular formula C21H16N2O2S and a molecular weight of 360.44 g/mol. Its IUPAC name is N-[4-[4-(4-methylphenyl)-1,3-oxazol-2-yl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(4-methylphenyl)-1,3-oxazol-2-yl]phenyl]thiophene-2-carboxamide
PubChem CID46392768
Molecular FormulaC21H16N2O2S
Molecular Weight360.44 g/mol
Exact Mass360.09
IUPAC NameN-[4-[4-(4-methylphenyl)-1,3-oxazol-2-yl]phenyl]thiophene-2-carboxamide
SMILESCc1ccc(-c2coc(-c3ccc(NC(=O)c4cccs4)cc3)n2)cc1
InChIInChI=1S/C21H16N2O2S/c1-14-4-6-15(7-5-14)18-13-25-21(23-18)16-8-10-17(11-9-16)22-20(24)19-3-2-12-26-19/h2-13H,1H3,(H,22,24)
InChIKeyWKNUWXPOTUSLRW-UHFFFAOYSA-N
XLogP5.63
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.44
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-methylphenyl)-1,3-oxazol-2-yl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[4-(4-methylphenyl)-1,3-oxazol-2-yl]phenyl]thiophene-2-carboxamide (CID 46392768) is N-[4-[4-(4-methylphenyl)-1,3-oxazol-2-yl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[4-(4-methylphenyl)-1,3-oxazol-2-yl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[4-(4-methylphenyl)-1,3-oxazol-2-yl]phenyl]thiophene-2-carboxamide is Cc1ccc(-c2coc(-c3ccc(NC(=O)c4cccs4)cc3)n2)cc1.
What is the InChIKey of N-[4-[4-(4-methylphenyl)-1,3-oxazol-2-yl]phenyl]thiophene-2-carboxamide?
The InChIKey is WKNUWXPOTUSLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O2S/c1-14-4-6-15(7-5-14)18-13-25-21(23-18)16-8-10-17(11-9-16)22-20(24)19-3-2-12-26-19/h2-13H,1H3,(H,22,24).
What are the key properties of N-[4-[4-(4-methylphenyl)-1,3-oxazol-2-yl]phenyl]thiophene-2-carboxamide?
N-[4-[4-(4-methylphenyl)-1,3-oxazol-2-yl]phenyl]thiophene-2-carboxamide has a molecular weight of 360.44 g/mol, XLogP of 5.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4-methylphenyl)-1,3-oxazol-2-yl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 46392768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).