2-[4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-fluorophenyl]piperazin-1-yl]-N,N-diethyl-2-phenylacetamide

C27H32FN5O2 — CID 58055759

IUPAC2-[4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-fluorophenyl]piperazin-1-yl]-N,N-diethyl-2-phenylacetamide
SMILESCCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3noc(C4CC4)n3)cc2F)CC1
InChIInChI=1S/C27H32FN5O2/c1-3-31(4-2)27(34)24(19-8-6-5-7-9-19)33-16-14-32(15-17-33)23-13-12-21(18-22(23)28)25-29-26(35-30-25)20-10-11-20/h5-9,12-13,18,20,24H,3-4,10-11,14-17H2,1-2H3
InChIKeyMRXWAOJWXFRSQV-UHFFFAOYSA-N
MW477.58 g/mol
LogP4.48
Rot. Bonds8

About 2-[4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-fluorophenyl]piperazin-1-yl]-N,N-diethyl-2-phenylacetamide

2-[4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-fluorophenyl]piperazin-1-yl]-N,N-diethyl-2-phenylacetamide (PubChem CID 58055759) has the molecular formula C27H32FN5O2 and a molecular weight of 477.58 g/mol. Its IUPAC name is 2-[4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-fluorophenyl]piperazin-1-yl]-N,N-diethyl-2-phenylacetamide.

Molecular Properties

Compound Name2-[4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-fluorophenyl]piperazin-1-yl]-N,N-diethyl-2-phenylacetamide
PubChem CID58055759
Molecular FormulaC27H32FN5O2
Molecular Weight477.58 g/mol
Exact Mass477.25
IUPAC Name2-[4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-fluorophenyl]piperazin-1-yl]-N,N-diethyl-2-phenylacetamide
SMILESCCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3noc(C4CC4)n3)cc2F)CC1
InChIInChI=1S/C27H32FN5O2/c1-3-31(4-2)27(34)24(19-8-6-5-7-9-19)33-16-14-32(15-17-33)23-13-12-21(18-22(23)28)25-29-26(35-30-25)20-10-11-20/h5-9,12-13,18,20,24H,3-4,10-11,14-17H2,1-2H3
InChIKeyMRXWAOJWXFRSQV-UHFFFAOYSA-N
XLogP4.48
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.58
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-fluorophenyl]piperazin-1-yl]-N,N-diethyl-2-phenylacetamide?
The IUPAC name of 2-[4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-fluorophenyl]piperazin-1-yl]-N,N-diethyl-2-phenylacetamide (CID 58055759) is 2-[4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-fluorophenyl]piperazin-1-yl]-N,N-diethyl-2-phenylacetamide.
What is the SMILES notation for 2-[4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-fluorophenyl]piperazin-1-yl]-N,N-diethyl-2-phenylacetamide?
The canonical SMILES for 2-[4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-fluorophenyl]piperazin-1-yl]-N,N-diethyl-2-phenylacetamide is CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3noc(C4CC4)n3)cc2F)CC1.
What is the InChIKey of 2-[4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-fluorophenyl]piperazin-1-yl]-N,N-diethyl-2-phenylacetamide?
The InChIKey is MRXWAOJWXFRSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32FN5O2/c1-3-31(4-2)27(34)24(19-8-6-5-7-9-19)33-16-14-32(15-17-33)23-13-12-21(18-22(23)28)25-29-26(35-30-25)20-10-11-20/h5-9,12-13,18,20,24H,3-4,10-11,14-17H2,1-2H3.
What are the key properties of 2-[4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-fluorophenyl]piperazin-1-yl]-N,N-diethyl-2-phenylacetamide?
2-[4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-fluorophenyl]piperazin-1-yl]-N,N-diethyl-2-phenylacetamide has a molecular weight of 477.58 g/mol, XLogP of 4.48, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-fluorophenyl]piperazin-1-yl]-N,N-diethyl-2-phenylacetamide is sourced from PubChem (CID 58055759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).