[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[4-(2-fluorophenoxy)piperidin-1-yl]methanone

C20H21FN4O3 — CID 46957255

IUPAC[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[4-(2-fluorophenoxy)piperidin-1-yl]methanone
SMILESCc1c(-c2cc(C(=O)N3CCC(Oc4ccccc4F)CC3)no2)cnn1C
InChIInChI=1S/C20H21FN4O3/c1-13-15(12-22-24(13)2)19-11-17(23-28-19)20(26)25-9-7-14(8-10-25)27-18-6-4-3-5-16(18)21/h3-6,11-12,14H,7-10H2,1-2H3
InChIKeyMXKHTOMQIBUULW-UHFFFAOYSA-N
MW384.41 g/mol
LogP3.21
Rot. Bonds4

About [5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[4-(2-fluorophenoxy)piperidin-1-yl]methanone

[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[4-(2-fluorophenoxy)piperidin-1-yl]methanone (PubChem CID 46957255) has the molecular formula C20H21FN4O3 and a molecular weight of 384.41 g/mol. Its IUPAC name is [5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[4-(2-fluorophenoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[4-(2-fluorophenoxy)piperidin-1-yl]methanone
PubChem CID46957255
Molecular FormulaC20H21FN4O3
Molecular Weight384.41 g/mol
Exact Mass384.16
IUPAC Name[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[4-(2-fluorophenoxy)piperidin-1-yl]methanone
SMILESCc1c(-c2cc(C(=O)N3CCC(Oc4ccccc4F)CC3)no2)cnn1C
InChIInChI=1S/C20H21FN4O3/c1-13-15(12-22-24(13)2)19-11-17(23-28-19)20(26)25-9-7-14(8-10-25)27-18-6-4-3-5-16(18)21/h3-6,11-12,14H,7-10H2,1-2H3
InChIKeyMXKHTOMQIBUULW-UHFFFAOYSA-N
XLogP3.21
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[4-(2-fluorophenoxy)piperidin-1-yl]methanone?
The IUPAC name of [5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[4-(2-fluorophenoxy)piperidin-1-yl]methanone (CID 46957255) is [5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[4-(2-fluorophenoxy)piperidin-1-yl]methanone.
What is the SMILES notation for [5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[4-(2-fluorophenoxy)piperidin-1-yl]methanone?
The canonical SMILES for [5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[4-(2-fluorophenoxy)piperidin-1-yl]methanone is Cc1c(-c2cc(C(=O)N3CCC(Oc4ccccc4F)CC3)no2)cnn1C.
What is the InChIKey of [5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[4-(2-fluorophenoxy)piperidin-1-yl]methanone?
The InChIKey is MXKHTOMQIBUULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O3/c1-13-15(12-22-24(13)2)19-11-17(23-28-19)20(26)25-9-7-14(8-10-25)27-18-6-4-3-5-16(18)21/h3-6,11-12,14H,7-10H2,1-2H3.
What are the key properties of [5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[4-(2-fluorophenoxy)piperidin-1-yl]methanone?
[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[4-(2-fluorophenoxy)piperidin-1-yl]methanone has a molecular weight of 384.41 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-[4-(2-fluorophenoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 46957255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).