1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperidine-4-carboxamide

C26H29FN6O3 — CID 34998562

IUPAC1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperidine-4-carboxamide
SMILESN#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NCCN2CCN(c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C26H29FN6O3/c27-20-3-5-21(6-4-20)32-15-13-31(14-16-32)12-9-29-24(34)19-7-10-33(11-8-19)26-22(18-28)30-25(36-26)23-2-1-17-35-23/h1-6,17,19H,7-16H2,(H,29,34)
InChIKeyBOBCHFSAXLMSPN-UHFFFAOYSA-N
MW492.56 g/mol
LogP3.10
Rot. Bonds7

About 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperidine-4-carboxamide

1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperidine-4-carboxamide (PubChem CID 34998562) has the molecular formula C26H29FN6O3 and a molecular weight of 492.56 g/mol. Its IUPAC name is 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperidine-4-carboxamide
PubChem CID34998562
Molecular FormulaC26H29FN6O3
Molecular Weight492.56 g/mol
Exact Mass492.23
IUPAC Name1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperidine-4-carboxamide
SMILESN#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NCCN2CCN(c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C26H29FN6O3/c27-20-3-5-21(6-4-20)32-15-13-31(14-16-32)12-9-29-24(34)19-7-10-33(11-8-19)26-22(18-28)30-25(36-26)23-2-1-17-35-23/h1-6,17,19H,7-16H2,(H,29,34)
InChIKeyBOBCHFSAXLMSPN-UHFFFAOYSA-N
XLogP3.10
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.56
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperidine-4-carboxamide (CID 34998562) is 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperidine-4-carboxamide is N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NCCN2CCN(c3ccc(F)cc3)CC2)CC1.
What is the InChIKey of 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperidine-4-carboxamide?
The InChIKey is BOBCHFSAXLMSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN6O3/c27-20-3-5-21(6-4-20)32-15-13-31(14-16-32)12-9-29-24(34)19-7-10-33(11-8-19)26-22(18-28)30-25(36-26)23-2-1-17-35-23/h1-6,17,19H,7-16H2,(H,29,34).
What are the key properties of 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperidine-4-carboxamide?
1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperidine-4-carboxamide has a molecular weight of 492.56 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 34998562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).