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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Related Compounds

Dgat1-IN-3
CID 16757107
N,N-dimethyl-2-[3-[4-[2-(1,3-oxazol-2-yl)phenyl]piperazin-1-yl]propylamino]pyridine-3-carboxamide
CID 10526831
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CID 44528432
4-[5-(2-Cyclohexylamino-pyridin-4-yl)-4-(4-fluoro-phenyl)-oxazol-2-yl]-piperidin-4-ol
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(3R,5S)-N-[(6-amino-2-pyridinyl)methyl]-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-5-phenylpiperidine-3-carboxamide
CID 53233020
1-[({[2-(4-Ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}thio)acetyl]-4-pyridin-2-ylpiperazine
CID 3244779
2-[[5-Methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 5307495
4-{4-(4-Fluoro-phenyl)-5-[2-((S)-1-phenyl-ethylamino)-pyridin-4-yl]-oxazol-2-yl}-1-methyl-piperidin-4-ol
CID 9804858
2-[5-Amino-2-(4-fluoro-phenyl)-6-oxo-6H-pyrimidin-1-yl]-N-(1-benzyl-2-oxazolo[4,5-b]pyridin-2-yl-2-oxo-ethyl)-acetamide
CID 10577682
2-(4-fluorophenyl)-4-propyl-N-[1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-yl]-1,3-oxazole-5-carboxamide
CID 16069002
2-(4-fluorophenyl)-4-propyl-N-[(2R)-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-5-carboxamide
CID 16069007
N-[(2R)-1-(4-carbamoylpiperazin-1-yl)propan-2-yl]-2-(4-fluorophenyl)-4-propyl-1,3-oxazole-5-carboxamide
CID 16069102

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).