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

C18H22N4O3 — CID 3242934

IUPAC3-(1-ethyl-5-methylpyrazol-4-yl)-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCCn1ncc(C2=NOC(C(=O)NCc3ccc(OC)cc3)C2)c1C
InChIInChI=1S/C18H22N4O3/c1-4-22-12(2)15(11-20-22)16-9-17(25-21-16)18(23)19-10-13-5-7-14(24-3)8-6-13/h5-8,11,17H,4,9-10H2,1-3H3,(H,19,23)
InChIKeyZAMWURXOYZPGKB-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.03
Rot. Bonds6

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

3-(1-ethyl-5-methylpyrazol-4-yl)-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 3242934) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 3-(1-ethyl-5-methylpyrazol-4-yl)-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(1-ethyl-5-methylpyrazol-4-yl)-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID3242934
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name3-(1-ethyl-5-methylpyrazol-4-yl)-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCCn1ncc(C2=NOC(C(=O)NCc3ccc(OC)cc3)C2)c1C
InChIInChI=1S/C18H22N4O3/c1-4-22-12(2)15(11-20-22)16-9-17(25-21-16)18(23)19-10-13-5-7-14(24-3)8-6-13/h5-8,11,17H,4,9-10H2,1-3H3,(H,19,23)
InChIKeyZAMWURXOYZPGKB-UHFFFAOYSA-N
XLogP2.03
TPSA77.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethyl-5-methylpyrazol-4-yl)-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(1-ethyl-5-methylpyrazol-4-yl)-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 3242934) is 3-(1-ethyl-5-methylpyrazol-4-yl)-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(1-ethyl-5-methylpyrazol-4-yl)-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(1-ethyl-5-methylpyrazol-4-yl)-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is CCn1ncc(C2=NOC(C(=O)NCc3ccc(OC)cc3)C2)c1C.
What is the InChIKey of 3-(1-ethyl-5-methylpyrazol-4-yl)-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is ZAMWURXOYZPGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-4-22-12(2)15(11-20-22)16-9-17(25-21-16)18(23)19-10-13-5-7-14(24-3)8-6-13/h5-8,11,17H,4,9-10H2,1-3H3,(H,19,23).
What are the key properties of 3-(1-ethyl-5-methylpyrazol-4-yl)-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(1-ethyl-5-methylpyrazol-4-yl)-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethyl-5-methylpyrazol-4-yl)-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 3242934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).