5-(3-chlorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-1,2-oxazole-3-carboxamide

C18H19ClN4O2 — CID 55978226

IUPAC5-(3-chlorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCC(C)N(Cc1cnn(C)c1)C(=O)c1cc(-c2cccc(Cl)c2)on1
InChIInChI=1S/C18H19ClN4O2/c1-12(2)23(11-13-9-20-22(3)10-13)18(24)16-8-17(25-21-16)14-5-4-6-15(19)7-14/h4-10,12H,11H2,1-3H3
InChIKeyQHNFRXSTUNCEIO-UHFFFAOYSA-N
MW358.83 g/mol
LogP3.78
Rot. Bonds5

About 5-(3-chlorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-1,2-oxazole-3-carboxamide

5-(3-chlorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 55978226) has the molecular formula C18H19ClN4O2 and a molecular weight of 358.83 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(3-chlorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-1,2-oxazole-3-carboxamide
PubChem CID55978226
Molecular FormulaC18H19ClN4O2
Molecular Weight358.83 g/mol
Exact Mass358.12
IUPAC Name5-(3-chlorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCC(C)N(Cc1cnn(C)c1)C(=O)c1cc(-c2cccc(Cl)c2)on1
InChIInChI=1S/C18H19ClN4O2/c1-12(2)23(11-13-9-20-22(3)10-13)18(24)16-8-17(25-21-16)14-5-4-6-15(19)7-14/h4-10,12H,11H2,1-3H3
InChIKeyQHNFRXSTUNCEIO-UHFFFAOYSA-N
XLogP3.78
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(3-chlorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-1,2-oxazole-3-carboxamide (CID 55978226) is 5-(3-chlorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(3-chlorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(3-chlorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-1,2-oxazole-3-carboxamide is CC(C)N(Cc1cnn(C)c1)C(=O)c1cc(-c2cccc(Cl)c2)on1.
What is the InChIKey of 5-(3-chlorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is QHNFRXSTUNCEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O2/c1-12(2)23(11-13-9-20-22(3)10-13)18(24)16-8-17(25-21-16)14-5-4-6-15(19)7-14/h4-10,12H,11H2,1-3H3.
What are the key properties of 5-(3-chlorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-1,2-oxazole-3-carboxamide?
5-(3-chlorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 358.83 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 55978226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).