3-(1-ethyl-5-methylpyrazol-4-yl)-N-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C18H22N4O2 — CID 3242359

IUPAC3-(1-ethyl-5-methylpyrazol-4-yl)-N-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCCn1ncc(C2=NOC(C(=O)NCCc3ccccc3)C2)c1C
InChIInChI=1S/C18H22N4O2/c1-3-22-13(2)15(12-20-22)16-11-17(24-21-16)18(23)19-10-9-14-7-5-4-6-8-14/h4-8,12,17H,3,9-11H2,1-2H3,(H,19,23)
InChIKeyLWAQXYZOLQERMD-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.06
Rot. Bonds6

About 3-(1-ethyl-5-methylpyrazol-4-yl)-N-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

3-(1-ethyl-5-methylpyrazol-4-yl)-N-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 3242359) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-(1-ethyl-5-methylpyrazol-4-yl)-N-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(1-ethyl-5-methylpyrazol-4-yl)-N-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID3242359
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name3-(1-ethyl-5-methylpyrazol-4-yl)-N-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCCn1ncc(C2=NOC(C(=O)NCCc3ccccc3)C2)c1C
InChIInChI=1S/C18H22N4O2/c1-3-22-13(2)15(12-20-22)16-11-17(24-21-16)18(23)19-10-9-14-7-5-4-6-8-14/h4-8,12,17H,3,9-11H2,1-2H3,(H,19,23)
InChIKeyLWAQXYZOLQERMD-UHFFFAOYSA-N
XLogP2.06
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-N-[1-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 5307998
5-(1-benzyl-4-methylpyrazol-3-yl)-N-hydroxypentanamide
CID 118714383
N-(3-acetylphenyl)-3-(1-ethyl-3-methyl-4-pyrazolyl)-4,5-dihydroisoxazole-5-carboxamide
CID 3236329
N-benzyl-3-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-4,5-dihydroisoxazole-5-carboxamide
CID 3241275
3-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-N-(4-methoxybenzyl)-4,5-dihydroisoxazole-5-carboxamide
CID 3242934
3-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-N-[1-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 5307827
N-(3-acetylphenyl)-3-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-4,5-dihydroisoxazole-5-carboxamide
CID 3243681
Ispa-28
CID 17095977
3-(1-ethyl-5-methylpyrazol-4-yl)-N-(2-methylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 6623050
N-[(4-chlorophenyl)methyl]-3-(1-ethyl-5-methyl-4-pyrazolyl)-4,5-dihydroisoxazole-5-carboxamide
CID 3243731
3-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-N-pyridin-3-yl-4,5-dihydroisoxazole-5-carboxamide
CID 3245512
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(1-ethyl-5-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 5308948

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethyl-5-methylpyrazol-4-yl)-N-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(1-ethyl-5-methylpyrazol-4-yl)-N-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 3242359) is 3-(1-ethyl-5-methylpyrazol-4-yl)-N-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(1-ethyl-5-methylpyrazol-4-yl)-N-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(1-ethyl-5-methylpyrazol-4-yl)-N-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is CCn1ncc(C2=NOC(C(=O)NCCc3ccccc3)C2)c1C.
What is the InChIKey of 3-(1-ethyl-5-methylpyrazol-4-yl)-N-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is LWAQXYZOLQERMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-3-22-13(2)15(12-20-22)16-11-17(24-21-16)18(23)19-10-9-14-7-5-4-6-8-14/h4-8,12,17H,3,9-11H2,1-2H3,(H,19,23).
What are the key properties of 3-(1-ethyl-5-methylpyrazol-4-yl)-N-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(1-ethyl-5-methylpyrazol-4-yl)-N-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethyl-5-methylpyrazol-4-yl)-N-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 3242359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).