2-(4-fluorophenyl)-4-propyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide

C25H30FN5O2 — CID 46231661

IUPAC2-(4-fluorophenyl)-4-propyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide
SMILESCCCc1nc(-c2ccc(F)cc2)oc1C(=O)NC(C)CN1CCN(c2ccccn2)CC1
InChIInChI=1S/C25H30FN5O2/c1-3-6-21-23(33-25(29-21)19-8-10-20(26)11-9-19)24(32)28-18(2)17-30-13-15-31(16-14-30)22-7-4-5-12-27-22/h4-5,7-12,18H,3,6,13-17H2,1-2H3,(H,28,32)
InChIKeyOULLPXCGBDZCBG-UHFFFAOYSA-N
MW451.55 g/mol
LogP3.77
Rot. Bonds8

About 2-(4-fluorophenyl)-4-propyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide

2-(4-fluorophenyl)-4-propyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide (PubChem CID 46231661) has the molecular formula C25H30FN5O2 and a molecular weight of 451.55 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-propyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-propyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide
PubChem CID46231661
Molecular FormulaC25H30FN5O2
Molecular Weight451.55 g/mol
Exact Mass451.24
IUPAC Name2-(4-fluorophenyl)-4-propyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide
SMILESCCCc1nc(-c2ccc(F)cc2)oc1C(=O)NC(C)CN1CCN(c2ccccn2)CC1
InChIInChI=1S/C25H30FN5O2/c1-3-6-21-23(33-25(29-21)19-8-10-20(26)11-9-19)24(32)28-18(2)17-30-13-15-31(16-14-30)22-7-4-5-12-27-22/h4-5,7-12,18H,3,6,13-17H2,1-2H3,(H,28,32)
InChIKeyOULLPXCGBDZCBG-UHFFFAOYSA-N
XLogP3.77
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-propyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-4-propyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide (CID 46231661) is 2-(4-fluorophenyl)-4-propyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-4-propyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-4-propyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide is CCCc1nc(-c2ccc(F)cc2)oc1C(=O)NC(C)CN1CCN(c2ccccn2)CC1.
What is the InChIKey of 2-(4-fluorophenyl)-4-propyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide?
The InChIKey is OULLPXCGBDZCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN5O2/c1-3-6-21-23(33-25(29-21)19-8-10-20(26)11-9-19)24(32)28-18(2)17-30-13-15-31(16-14-30)22-7-4-5-12-27-22/h4-5,7-12,18H,3,6,13-17H2,1-2H3,(H,28,32).
What are the key properties of 2-(4-fluorophenyl)-4-propyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide?
2-(4-fluorophenyl)-4-propyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide has a molecular weight of 451.55 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-propyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 46231661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).