[4-(2-fluorophenyl)piperazin-1-yl]-(2-methyl-4-propan-2-yl-1,3-oxazol-5-yl)methanone

C18H22FN3O2 — CID 110684687

IUPAC[4-(2-fluorophenyl)piperazin-1-yl]-(2-methyl-4-propan-2-yl-1,3-oxazol-5-yl)methanone
SMILESCc1nc(C(C)C)c(C(=O)N2CCN(c3ccccc3F)CC2)o1
InChIInChI=1S/C18H22FN3O2/c1-12(2)16-17(24-13(3)20-16)18(23)22-10-8-21(9-11-22)15-7-5-4-6-14(15)19/h4-7,12H,8-11H2,1-3H3
InChIKeyCOZHIVCOXPVUJC-UHFFFAOYSA-N
MW331.39 g/mol
LogP3.21
Rot. Bonds3

About [4-(2-fluorophenyl)piperazin-1-yl]-(2-methyl-4-propan-2-yl-1,3-oxazol-5-yl)methanone

[4-(2-fluorophenyl)piperazin-1-yl]-(2-methyl-4-propan-2-yl-1,3-oxazol-5-yl)methanone (PubChem CID 110684687) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is [4-(2-fluorophenyl)piperazin-1-yl]-(2-methyl-4-propan-2-yl-1,3-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(2-fluorophenyl)piperazin-1-yl]-(2-methyl-4-propan-2-yl-1,3-oxazol-5-yl)methanone
PubChem CID110684687
Molecular FormulaC18H22FN3O2
Molecular Weight331.39 g/mol
Exact Mass331.17
IUPAC Name[4-(2-fluorophenyl)piperazin-1-yl]-(2-methyl-4-propan-2-yl-1,3-oxazol-5-yl)methanone
SMILESCc1nc(C(C)C)c(C(=O)N2CCN(c3ccccc3F)CC2)o1
InChIInChI=1S/C18H22FN3O2/c1-12(2)16-17(24-13(3)20-16)18(23)22-10-8-21(9-11-22)15-7-5-4-6-14(15)19/h4-7,12H,8-11H2,1-3H3
InChIKeyCOZHIVCOXPVUJC-UHFFFAOYSA-N
XLogP3.21
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-fluorophenyl)piperazin-1-yl]-(2-methyl-1,3-benzoxazol-5-yl)methanone
CID 110387959
[4-(2-fluorophenyl)piperazin-1-yl]-[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]methanone
CID 109319319
[4-(2-fluorophenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 808454
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-sulfanylpropan-1-one
CID 107023626
4-(2-fluorophenyl)-N,N-dimethylpiperazine-1-carboxamide
CID 3757399
(2,6-dimethyl-4-pyrrolidin-1-ylfuro[2,3-d]pyrimidin-5-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 20925422
[4-(2-fluorophenyl)piperazin-1-yl]-(5-methoxy-3-methyl-1-benzofuran-2-yl)methanone
CID 51155040
(2S)-2-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119827006
[4-(2-fluorophenyl)piperazin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 110693755
(2-amino-1,3-oxazol-4-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 110854582
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzoic acid
CID 82183776
5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
CID 156586016

Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-(2-methyl-4-propan-2-yl-1,3-oxazol-5-yl)methanone?
The IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-(2-methyl-4-propan-2-yl-1,3-oxazol-5-yl)methanone (CID 110684687) is [4-(2-fluorophenyl)piperazin-1-yl]-(2-methyl-4-propan-2-yl-1,3-oxazol-5-yl)methanone.
What is the SMILES notation for [4-(2-fluorophenyl)piperazin-1-yl]-(2-methyl-4-propan-2-yl-1,3-oxazol-5-yl)methanone?
The canonical SMILES for [4-(2-fluorophenyl)piperazin-1-yl]-(2-methyl-4-propan-2-yl-1,3-oxazol-5-yl)methanone is Cc1nc(C(C)C)c(C(=O)N2CCN(c3ccccc3F)CC2)o1.
What is the InChIKey of [4-(2-fluorophenyl)piperazin-1-yl]-(2-methyl-4-propan-2-yl-1,3-oxazol-5-yl)methanone?
The InChIKey is COZHIVCOXPVUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2/c1-12(2)16-17(24-13(3)20-16)18(23)22-10-8-21(9-11-22)15-7-5-4-6-14(15)19/h4-7,12H,8-11H2,1-3H3.
What are the key properties of [4-(2-fluorophenyl)piperazin-1-yl]-(2-methyl-4-propan-2-yl-1,3-oxazol-5-yl)methanone?
[4-(2-fluorophenyl)piperazin-1-yl]-(2-methyl-4-propan-2-yl-1,3-oxazol-5-yl)methanone has a molecular weight of 331.39 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorophenyl)piperazin-1-yl]-(2-methyl-4-propan-2-yl-1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 110684687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).