5-fluoro-2-(4-phenylpiperazin-1-yl)-1,3-benzoxazole-7-carboxamide

C18H17FN4O2 — CID 71487873

IUPAC5-fluoro-2-(4-phenylpiperazin-1-yl)-1,3-benzoxazole-7-carboxamide
SMILESNC(=O)c1cc(F)cc2nc(N3CCN(c4ccccc4)CC3)oc12
InChIInChI=1S/C18H17FN4O2/c19-12-10-14(17(20)24)16-15(11-12)21-18(25-16)23-8-6-22(7-9-23)13-4-2-1-3-5-13/h1-5,10-11H,6-9H2,(H2,20,24)
InChIKeyUWXDTTRUGSLTAU-UHFFFAOYSA-N
MW340.36 g/mol
LogP2.39
Rot. Bonds3

About 5-fluoro-2-(4-phenylpiperazin-1-yl)-1,3-benzoxazole-7-carboxamide

5-fluoro-2-(4-phenylpiperazin-1-yl)-1,3-benzoxazole-7-carboxamide (PubChem CID 71487873) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is 5-fluoro-2-(4-phenylpiperazin-1-yl)-1,3-benzoxazole-7-carboxamide.

Molecular Properties

Compound Name5-fluoro-2-(4-phenylpiperazin-1-yl)-1,3-benzoxazole-7-carboxamide
PubChem CID71487873
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC Name5-fluoro-2-(4-phenylpiperazin-1-yl)-1,3-benzoxazole-7-carboxamide
SMILESNC(=O)c1cc(F)cc2nc(N3CCN(c4ccccc4)CC3)oc12
InChIInChI=1S/C18H17FN4O2/c19-12-10-14(17(20)24)16-15(11-12)21-18(25-16)23-8-6-22(7-9-23)13-4-2-1-3-5-13/h1-5,10-11H,6-9H2,(H2,20,24)
InChIKeyUWXDTTRUGSLTAU-UHFFFAOYSA-N
XLogP2.39
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3-benzoxazol-2-ylmethylsulfanyl)-5-fluoro-1,3-benzoxazole-7-carboxamide
CID 71487820
5,7-difluoro-2-piperazin-1-yl-1,3-benzoxazole
CID 82231812
6-fluoro-2-[4-(4-fluorophenyl)piperazin-1-yl]-1,3-benzoxazole
CID 163357218
4-amino-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 53143912
carbamic acid;1-phenylpiperidine
CID 161473217
(3,5-difluorophenyl)-(4-phenylpiperazin-1-yl)methanone
CID 4806675
2-[4-(5-fluoro-1,3-benzoxazol-2-yl)piperazin-1-yl]propanoic acid
CID 82167709
2-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]ethanethioamide
CID 63337071
[4-(4-fluorophenyl)piperazin-1-yl]-(1-phenylpiperidin-4-yl)methanone
CID 17152277
2-chloro-4-fluorobenzamide;6-(4-phenylpiperazin-1-yl)pyridine-3-sulfonic acid
CID 87306082
[6-fluoro-4-(4-phenylpiperazin-1-yl)quinolin-3-yl]-phenylmethanone;hydrochloride
CID 126851117
1-(1-benzofuran-2-yl)-2-(4-phenylpiperazin-1-yl)ethanone
CID 14509719

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(4-phenylpiperazin-1-yl)-1,3-benzoxazole-7-carboxamide?
The IUPAC name of 5-fluoro-2-(4-phenylpiperazin-1-yl)-1,3-benzoxazole-7-carboxamide (CID 71487873) is 5-fluoro-2-(4-phenylpiperazin-1-yl)-1,3-benzoxazole-7-carboxamide.
What is the SMILES notation for 5-fluoro-2-(4-phenylpiperazin-1-yl)-1,3-benzoxazole-7-carboxamide?
The canonical SMILES for 5-fluoro-2-(4-phenylpiperazin-1-yl)-1,3-benzoxazole-7-carboxamide is NC(=O)c1cc(F)cc2nc(N3CCN(c4ccccc4)CC3)oc12.
What is the InChIKey of 5-fluoro-2-(4-phenylpiperazin-1-yl)-1,3-benzoxazole-7-carboxamide?
The InChIKey is UWXDTTRUGSLTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c19-12-10-14(17(20)24)16-15(11-12)21-18(25-16)23-8-6-22(7-9-23)13-4-2-1-3-5-13/h1-5,10-11H,6-9H2,(H2,20,24).
What are the key properties of 5-fluoro-2-(4-phenylpiperazin-1-yl)-1,3-benzoxazole-7-carboxamide?
5-fluoro-2-(4-phenylpiperazin-1-yl)-1,3-benzoxazole-7-carboxamide has a molecular weight of 340.36 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(4-phenylpiperazin-1-yl)-1,3-benzoxazole-7-carboxamide is sourced from PubChem (CID 71487873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).