[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[3-(2-phenoxyethyl)pyrrolidin-1-yl]methanone

C23H28N4O3 — CID 110196400

IUPAC[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[3-(2-phenoxyethyl)pyrrolidin-1-yl]methanone
SMILESCCn1nc(C)c(-c2cc(C(=O)N3CCC(CCOc4ccccc4)C3)no2)c1C
InChIInChI=1S/C23H28N4O3/c1-4-27-17(3)22(16(2)24-27)21-14-20(25-30-21)23(28)26-12-10-18(15-26)11-13-29-19-8-6-5-7-9-19/h5-9,14,18H,4,10-13,15H2,1-3H3
InChIKeyWGYCGBQJXMQJGO-UHFFFAOYSA-N
MW408.50 g/mol
LogP4.11
Rot. Bonds7

About [5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[3-(2-phenoxyethyl)pyrrolidin-1-yl]methanone

[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[3-(2-phenoxyethyl)pyrrolidin-1-yl]methanone (PubChem CID 110196400) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is [5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[3-(2-phenoxyethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[3-(2-phenoxyethyl)pyrrolidin-1-yl]methanone
PubChem CID110196400
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[3-(2-phenoxyethyl)pyrrolidin-1-yl]methanone
SMILESCCn1nc(C)c(-c2cc(C(=O)N3CCC(CCOc4ccccc4)C3)no2)c1C
InChIInChI=1S/C23H28N4O3/c1-4-27-17(3)22(16(2)24-27)21-14-20(25-30-21)23(28)26-12-10-18(15-26)11-13-29-19-8-6-5-7-9-19/h5-9,14,18H,4,10-13,15H2,1-3H3
InChIKeyWGYCGBQJXMQJGO-UHFFFAOYSA-N
XLogP4.11
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-5-(2-furyl)isoxazole-3-carboxamide
CID 3237340
N-[3,5-dimethyl-1-(2-methylbenzyl)-1H-pyrazol-4-yl]-5-(3-methoxyphenyl)isoxazole-3-carboxamide
CID 3240170
N-[1-[(4-fluorophenyl)methyl]-3,5-dimethyl-4-pyrazolyl]-5-(2-furanyl)-3-isoxazolecarboxamide
CID 3244386
5-[(2,6-difluorophenoxy)methyl]-N-[(1,5-dimethyl-1H-pyrazol-3-yl)methyl]isoxazole-3-carboxamide
CID 16190047
5-[(2,4-difluorophenoxy)methyl]-N-ethyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]isoxazole-3-carboxamide
CID 16190361
5-[(2,6-difluorophenoxy)methyl]-N-ethyl-N-[2-(1H-pyrazol-1-yl)ethyl]-3-isoxazolecarboxamide
CID 16190599
5-[(2,6-difluorophenoxy)methyl]-N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-methylethyl]-3-isoxazolecarboxamide
CID 16190911
5-[(2,6-difluorophenoxy)methyl]-N-methyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]isoxazole-3-carboxamide
CID 16192487
5-[(3,4-difluorophenoxy)methyl]-N-[1-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethyl]-3-isoxazolecarboxamide
CID 24790204
5-[(2,5-dimethylphenoxy)methyl]-N-ethyl-N-(2-pyrazol-1-ylethyl)isoxazole-3-carboxamide
CID 24790244
N-cyclopropyl-5-[(2-methoxy-4-methylphenoxy)methyl]-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-3-isoxazolecarboxamide
CID 24790810
N-cyclopropyl-5-[(2,6-dimethylphenoxy)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide
CID 24791515

Frequently Asked Questions

What is the IUPAC name of [5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[3-(2-phenoxyethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[3-(2-phenoxyethyl)pyrrolidin-1-yl]methanone (CID 110196400) is [5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[3-(2-phenoxyethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[3-(2-phenoxyethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[3-(2-phenoxyethyl)pyrrolidin-1-yl]methanone is CCn1nc(C)c(-c2cc(C(=O)N3CCC(CCOc4ccccc4)C3)no2)c1C.
What is the InChIKey of [5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[3-(2-phenoxyethyl)pyrrolidin-1-yl]methanone?
The InChIKey is WGYCGBQJXMQJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-4-27-17(3)22(16(2)24-27)21-14-20(25-30-21)23(28)26-12-10-18(15-26)11-13-29-19-8-6-5-7-9-19/h5-9,14,18H,4,10-13,15H2,1-3H3.
What are the key properties of [5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[3-(2-phenoxyethyl)pyrrolidin-1-yl]methanone?
[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[3-(2-phenoxyethyl)pyrrolidin-1-yl]methanone has a molecular weight of 408.50 g/mol, XLogP of 4.11, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[3-(2-phenoxyethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 110196400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).