[4-(2-fluoroanilino)piperidin-1-yl]-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone

C20H22FN5O2 — CID 126793574

IUPAC[4-(2-fluoroanilino)piperidin-1-yl]-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone
SMILESCc1oc(-c2cnn(C)c2)nc1C(=O)N1CCC(Nc2ccccc2F)CC1
InChIInChI=1S/C20H22FN5O2/c1-13-18(24-19(28-13)14-11-22-25(2)12-14)20(27)26-9-7-15(8-10-26)23-17-6-4-3-5-16(17)21/h3-6,11-12,15,23H,7-10H2,1-2H3
InChIKeyNURBXCARDIURRZ-UHFFFAOYSA-N
MW383.43 g/mol
LogP3.24
Rot. Bonds4

About [4-(2-fluoroanilino)piperidin-1-yl]-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone

[4-(2-fluoroanilino)piperidin-1-yl]-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone (PubChem CID 126793574) has the molecular formula C20H22FN5O2 and a molecular weight of 383.43 g/mol. Its IUPAC name is [4-(2-fluoroanilino)piperidin-1-yl]-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone.

Molecular Properties

Compound Name[4-(2-fluoroanilino)piperidin-1-yl]-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone
PubChem CID126793574
Molecular FormulaC20H22FN5O2
Molecular Weight383.43 g/mol
Exact Mass383.18
IUPAC Name[4-(2-fluoroanilino)piperidin-1-yl]-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone
SMILESCc1oc(-c2cnn(C)c2)nc1C(=O)N1CCC(Nc2ccccc2F)CC1
InChIInChI=1S/C20H22FN5O2/c1-13-18(24-19(28-13)14-11-22-25(2)12-14)20(27)26-9-7-15(8-10-26)23-17-6-4-3-5-16(17)21/h3-6,11-12,15,23H,7-10H2,1-2H3
InChIKeyNURBXCARDIURRZ-UHFFFAOYSA-N
XLogP3.24
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(2-fluoroanilino)piperidin-1-yl]-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone?
The IUPAC name of [4-(2-fluoroanilino)piperidin-1-yl]-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone (CID 126793574) is [4-(2-fluoroanilino)piperidin-1-yl]-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone.
What is the SMILES notation for [4-(2-fluoroanilino)piperidin-1-yl]-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone?
The canonical SMILES for [4-(2-fluoroanilino)piperidin-1-yl]-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone is Cc1oc(-c2cnn(C)c2)nc1C(=O)N1CCC(Nc2ccccc2F)CC1.
What is the InChIKey of [4-(2-fluoroanilino)piperidin-1-yl]-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone?
The InChIKey is NURBXCARDIURRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O2/c1-13-18(24-19(28-13)14-11-22-25(2)12-14)20(27)26-9-7-15(8-10-26)23-17-6-4-3-5-16(17)21/h3-6,11-12,15,23H,7-10H2,1-2H3.
What are the key properties of [4-(2-fluoroanilino)piperidin-1-yl]-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone?
[4-(2-fluoroanilino)piperidin-1-yl]-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone has a molecular weight of 383.43 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluoroanilino)piperidin-1-yl]-[5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-4-yl]methanone is sourced from PubChem (CID 126793574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).