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

C17H19ClN4O2 — CID 3243731

IUPACN-[(4-chlorophenyl)methyl]-3-(1-ethyl-5-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCCn1ncc(C2=NOC(C(=O)NCc3ccc(Cl)cc3)C2)c1C
InChIInChI=1S/C17H19ClN4O2/c1-3-22-11(2)14(10-20-22)15-8-16(24-21-15)17(23)19-9-12-4-6-13(18)7-5-12/h4-7,10,16H,3,8-9H2,1-2H3,(H,19,23)
InChIKeyWZMCSBFEYYHNKX-UHFFFAOYSA-N
MW346.82 g/mol
LogP2.67
Rot. Bonds5

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

N-[(4-chlorophenyl)methyl]-3-(1-ethyl-5-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 3243731) has the molecular formula C17H19ClN4O2 and a molecular weight of 346.82 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3-(1-ethyl-5-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-3-(1-ethyl-5-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID3243731
Molecular FormulaC17H19ClN4O2
Molecular Weight346.82 g/mol
Exact Mass346.12
IUPAC NameN-[(4-chlorophenyl)methyl]-3-(1-ethyl-5-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCCn1ncc(C2=NOC(C(=O)NCc3ccc(Cl)cc3)C2)c1C
InChIInChI=1S/C17H19ClN4O2/c1-3-22-11(2)14(10-20-22)15-8-16(24-21-15)17(23)19-9-12-4-6-13(18)7-5-12/h4-7,10,16H,3,8-9H2,1-2H3,(H,19,23)
InChIKeyWZMCSBFEYYHNKX-UHFFFAOYSA-N
XLogP2.67
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-3-(1-ethyl-5-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-3-(1-ethyl-5-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 3243731) is N-[(4-chlorophenyl)methyl]-3-(1-ethyl-5-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-3-(1-ethyl-5-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-3-(1-ethyl-5-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is CCn1ncc(C2=NOC(C(=O)NCc3ccc(Cl)cc3)C2)c1C.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-3-(1-ethyl-5-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is WZMCSBFEYYHNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O2/c1-3-22-11(2)14(10-20-22)15-8-16(24-21-15)17(23)19-9-12-4-6-13(18)7-5-12/h4-7,10,16H,3,8-9H2,1-2H3,(H,19,23).
What are the key properties of N-[(4-chlorophenyl)methyl]-3-(1-ethyl-5-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-[(4-chlorophenyl)methyl]-3-(1-ethyl-5-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 346.82 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-3-(1-ethyl-5-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 3243731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).