[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-[(2R)-2-(1-methylpyrazol-4-yl)azepan-1-yl]methanone

C20H21FN4O2 — CID 51587969

IUPAC[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-[(2R)-2-(1-methylpyrazol-4-yl)azepan-1-yl]methanone
SMILESCn1cc([C@H]2CCCCCN2C(=O)c2cc(-c3ccc(F)cc3)no2)cn1
InChIInChI=1S/C20H21FN4O2/c1-24-13-15(12-22-24)18-5-3-2-4-10-25(18)20(26)19-11-17(23-27-19)14-6-8-16(21)9-7-14/h6-9,11-13,18H,2-5,10H2,1H3/t18-/m1/s1
InChIKeyKRKTXHCUOASDRQ-GOSISDBHSA-N
MW368.41 g/mol
LogP3.97
Rot. Bonds3

About [3-(4-fluorophenyl)-1,2-oxazol-5-yl]-[(2R)-2-(1-methylpyrazol-4-yl)azepan-1-yl]methanone

[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-[(2R)-2-(1-methylpyrazol-4-yl)azepan-1-yl]methanone (PubChem CID 51587969) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-1,2-oxazol-5-yl]-[(2R)-2-(1-methylpyrazol-4-yl)azepan-1-yl]methanone.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-[(2R)-2-(1-methylpyrazol-4-yl)azepan-1-yl]methanone
PubChem CID51587969
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC Name[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-[(2R)-2-(1-methylpyrazol-4-yl)azepan-1-yl]methanone
SMILESCn1cc([C@H]2CCCCCN2C(=O)c2cc(-c3ccc(F)cc3)no2)cn1
InChIInChI=1S/C20H21FN4O2/c1-24-13-15(12-22-24)18-5-3-2-4-10-25(18)20(26)19-11-17(23-27-19)14-6-8-16(21)9-7-14/h6-9,11-13,18H,2-5,10H2,1H3/t18-/m1/s1
InChIKeyKRKTXHCUOASDRQ-GOSISDBHSA-N
XLogP3.97
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [3-(4-fluorophenyl)-1,2-oxazol-5-yl]-[(2R)-2-(1-methylpyrazol-4-yl)azepan-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-cyclobutyl-1,2-oxazol-5-yl)-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone
CID 167972128
[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95308695
cyclohexyl-[(2R)-2-(1-methylpyrazol-4-yl)azepan-1-yl]methanone
CID 92566960
(4-methyl-5-phenyl-1,2-oxazol-3-yl)-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone
CID 167793105
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 99816463
[3-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone
CID 167759741
1-[2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]azepan-1-yl]-2-(1-methylpyrazol-4-yl)ethanone
CID 75475127
[2-(3-fluorophenyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 70739283
[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone
CID 126774607
[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone
CID 146103274
[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 132779752
(3-phenyl-1,2-oxazol-5-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 51081134

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-1,2-oxazol-5-yl]-[(2R)-2-(1-methylpyrazol-4-yl)azepan-1-yl]methanone?
The IUPAC name of [3-(4-fluorophenyl)-1,2-oxazol-5-yl]-[(2R)-2-(1-methylpyrazol-4-yl)azepan-1-yl]methanone (CID 51587969) is [3-(4-fluorophenyl)-1,2-oxazol-5-yl]-[(2R)-2-(1-methylpyrazol-4-yl)azepan-1-yl]methanone.
What is the SMILES notation for [3-(4-fluorophenyl)-1,2-oxazol-5-yl]-[(2R)-2-(1-methylpyrazol-4-yl)azepan-1-yl]methanone?
The canonical SMILES for [3-(4-fluorophenyl)-1,2-oxazol-5-yl]-[(2R)-2-(1-methylpyrazol-4-yl)azepan-1-yl]methanone is Cn1cc([C@H]2CCCCCN2C(=O)c2cc(-c3ccc(F)cc3)no2)cn1.
What is the InChIKey of [3-(4-fluorophenyl)-1,2-oxazol-5-yl]-[(2R)-2-(1-methylpyrazol-4-yl)azepan-1-yl]methanone?
The InChIKey is KRKTXHCUOASDRQ-GOSISDBHSA-N. The full InChI is InChI=1S/C20H21FN4O2/c1-24-13-15(12-22-24)18-5-3-2-4-10-25(18)20(26)19-11-17(23-27-19)14-6-8-16(21)9-7-14/h6-9,11-13,18H,2-5,10H2,1H3/t18-/m1/s1.
What are the key properties of [3-(4-fluorophenyl)-1,2-oxazol-5-yl]-[(2R)-2-(1-methylpyrazol-4-yl)azepan-1-yl]methanone?
[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-[(2R)-2-(1-methylpyrazol-4-yl)azepan-1-yl]methanone has a molecular weight of 368.41 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-1,2-oxazol-5-yl]-[(2R)-2-(1-methylpyrazol-4-yl)azepan-1-yl]methanone is sourced from PubChem (CID 51587969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).