[2-(difluoromethoxy)phenyl]-[4-(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone

C21H18F2N4O4 — CID 112845110

IUPAC[2-(difluoromethoxy)phenyl]-[4-(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1cc(-c2ccncc2)on1)N1CCN(C(=O)c2ccccc2OC(F)F)CC1
InChIInChI=1S/C21H18F2N4O4/c22-21(23)30-17-4-2-1-3-15(17)19(28)26-9-11-27(12-10-26)20(29)16-13-18(31-25-16)14-5-7-24-8-6-14/h1-8,13,21H,9-12H2
InChIKeyIPJAOOIESBEBCK-UHFFFAOYSA-N
MW428.40 g/mol
LogP2.94
Rot. Bonds5

About [2-(difluoromethoxy)phenyl]-[4-(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone

[2-(difluoromethoxy)phenyl]-[4-(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone (PubChem CID 112845110) has the molecular formula C21H18F2N4O4 and a molecular weight of 428.40 g/mol. Its IUPAC name is [2-(difluoromethoxy)phenyl]-[4-(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(difluoromethoxy)phenyl]-[4-(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone
PubChem CID112845110
Molecular FormulaC21H18F2N4O4
Molecular Weight428.40 g/mol
Exact Mass428.13
IUPAC Name[2-(difluoromethoxy)phenyl]-[4-(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1cc(-c2ccncc2)on1)N1CCN(C(=O)c2ccccc2OC(F)F)CC1
InChIInChI=1S/C21H18F2N4O4/c22-21(23)30-17-4-2-1-3-15(17)19(28)26-9-11-27(12-10-26)20(29)16-13-18(31-25-16)14-5-7-24-8-6-14/h1-8,13,21H,9-12H2
InChIKeyIPJAOOIESBEBCK-UHFFFAOYSA-N
XLogP2.94
TPSA88.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.40
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-(difluoromethoxy)phenyl]-[4-(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

ML381
CID 42519285
5-(2-methoxyphenyl)-N-pyridin-3-ylisoxazole-3-carboxamide
CID 3236616
Dafadine-A
CID 24790866
[3-(2-Hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanone
CID 24968561
N-[(3S,4S)-1-cyclohexyl-3-(pyridin-2-ylmethylcarbamoyl)piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
CID 141677967
N-[(3S,4S)-1-cyclohexyl-3-(2-pyridin-2-ylethylcarbamoyl)piperidin-4-yl]-5-(2,4-difluorophenyl)-1,2-oxazole-3-carboxamide
CID 141678009
1-(4-Fluorophenyl)-4-{[5-(2-methoxyphenyl)isoxazol-3-yl]carbonyl}piperazine
CID 3245614
5-(3-methoxyphenyl)-N-3-pyridinyl-3-isoxazolecarboxamide
CID 4519032
dafadine C
CID 16189154
(8-methyl-4H-chromeno[3,4-d][1,2]oxazol-3-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone
CID 22551046
5-[(4-acetylphenoxy)methyl]-N-methyl-N-(2-pyridinylmethyl)-3-isoxazolecarboxamide
CID 24791062
5-[(3-acetylphenoxy)methyl]-N-methyl-N-[(1S)-1-(pyridin-2-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 24791252

Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethoxy)phenyl]-[4-(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of [2-(difluoromethoxy)phenyl]-[4-(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone (CID 112845110) is [2-(difluoromethoxy)phenyl]-[4-(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for [2-(difluoromethoxy)phenyl]-[4-(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for [2-(difluoromethoxy)phenyl]-[4-(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone is O=C(c1cc(-c2ccncc2)on1)N1CCN(C(=O)c2ccccc2OC(F)F)CC1.
What is the InChIKey of [2-(difluoromethoxy)phenyl]-[4-(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone?
The InChIKey is IPJAOOIESBEBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N4O4/c22-21(23)30-17-4-2-1-3-15(17)19(28)26-9-11-27(12-10-26)20(29)16-13-18(31-25-16)14-5-7-24-8-6-14/h1-8,13,21H,9-12H2.
What are the key properties of [2-(difluoromethoxy)phenyl]-[4-(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone?
[2-(difluoromethoxy)phenyl]-[4-(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone has a molecular weight of 428.40 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethoxy)phenyl]-[4-(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 112845110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).