N-[4-[5-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazol-2-yl]phenyl]thiophene-2-carboxamide

C20H18N4O2S — CID 71837370

IUPACN-[4-[5-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazol-2-yl]phenyl]thiophene-2-carboxamide
SMILESCc1cnn(Cc2nc(-c3ccc(NC(=O)c4cccs4)cc3)oc2C)c1
InChIInChI=1S/C20H18N4O2S/c1-13-10-21-24(11-13)12-17-14(2)26-20(23-17)15-5-7-16(8-6-15)22-19(25)18-4-3-9-27-18/h3-11H,12H2,1-2H3,(H,22,25)
InChIKeyNYQJJNAPMPUOEU-UHFFFAOYSA-N
MW378.46 g/mol
LogP4.52
Rot. Bonds5

About N-[4-[5-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazol-2-yl]phenyl]thiophene-2-carboxamide

N-[4-[5-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazol-2-yl]phenyl]thiophene-2-carboxamide (PubChem CID 71837370) has the molecular formula C20H18N4O2S and a molecular weight of 378.46 g/mol. Its IUPAC name is N-[4-[5-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazol-2-yl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[5-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazol-2-yl]phenyl]thiophene-2-carboxamide
PubChem CID71837370
Molecular FormulaC20H18N4O2S
Molecular Weight378.46 g/mol
Exact Mass378.12
IUPAC NameN-[4-[5-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazol-2-yl]phenyl]thiophene-2-carboxamide
SMILESCc1cnn(Cc2nc(-c3ccc(NC(=O)c4cccs4)cc3)oc2C)c1
InChIInChI=1S/C20H18N4O2S/c1-13-10-21-24(11-13)12-17-14(2)26-20(23-17)15-5-7-16(8-6-15)22-19(25)18-4-3-9-27-18/h3-11H,12H2,1-2H3,(H,22,25)
InChIKeyNYQJJNAPMPUOEU-UHFFFAOYSA-N
XLogP4.52
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazol-2-yl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[5-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazol-2-yl]phenyl]thiophene-2-carboxamide (CID 71837370) is N-[4-[5-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazol-2-yl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[5-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazol-2-yl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[5-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazol-2-yl]phenyl]thiophene-2-carboxamide is Cc1cnn(Cc2nc(-c3ccc(NC(=O)c4cccs4)cc3)oc2C)c1.
What is the InChIKey of N-[4-[5-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazol-2-yl]phenyl]thiophene-2-carboxamide?
The InChIKey is NYQJJNAPMPUOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S/c1-13-10-21-24(11-13)12-17-14(2)26-20(23-17)15-5-7-16(8-6-15)22-19(25)18-4-3-9-27-18/h3-11H,12H2,1-2H3,(H,22,25).
What are the key properties of N-[4-[5-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazol-2-yl]phenyl]thiophene-2-carboxamide?
N-[4-[5-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazol-2-yl]phenyl]thiophene-2-carboxamide has a molecular weight of 378.46 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazol-2-yl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 71837370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).