N,N-diethyl-2-[4-[2-fluoro-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]piperazin-1-yl]-2-phenylacetamide

C27H34FN5O2 — CID 58055758

IUPACN,N-diethyl-2-[4-[2-fluoro-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]piperazin-1-yl]-2-phenylacetamide
SMILESCCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3nc(C(C)C)no3)cc2F)CC1
InChIInChI=1S/C27H34FN5O2/c1-5-31(6-2)27(34)24(20-10-8-7-9-11-20)33-16-14-32(15-17-33)23-13-12-21(18-22(23)28)26-29-25(19(3)4)30-35-26/h7-13,18-19,24H,5-6,14-17H2,1-4H3
InChIKeyAIBHVTSSZVDNBU-UHFFFAOYSA-N
MW479.60 g/mol
LogP4.73
Rot. Bonds8

About N,N-diethyl-2-[4-[2-fluoro-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]piperazin-1-yl]-2-phenylacetamide

N,N-diethyl-2-[4-[2-fluoro-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]piperazin-1-yl]-2-phenylacetamide (PubChem CID 58055758) has the molecular formula C27H34FN5O2 and a molecular weight of 479.60 g/mol. Its IUPAC name is N,N-diethyl-2-[4-[2-fluoro-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]piperazin-1-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[4-[2-fluoro-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]piperazin-1-yl]-2-phenylacetamide
PubChem CID58055758
Molecular FormulaC27H34FN5O2
Molecular Weight479.60 g/mol
Exact Mass479.27
IUPAC NameN,N-diethyl-2-[4-[2-fluoro-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]piperazin-1-yl]-2-phenylacetamide
SMILESCCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3nc(C(C)C)no3)cc2F)CC1
InChIInChI=1S/C27H34FN5O2/c1-5-31(6-2)27(34)24(20-10-8-7-9-11-20)33-16-14-32(15-17-33)23-13-12-21(18-22(23)28)26-29-25(19(3)4)30-35-26/h7-13,18-19,24H,5-6,14-17H2,1-4H3
InChIKeyAIBHVTSSZVDNBU-UHFFFAOYSA-N
XLogP4.73
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.60
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-[2-fluoro-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]piperazin-1-yl]-2-phenylacetamide?
The IUPAC name of N,N-diethyl-2-[4-[2-fluoro-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]piperazin-1-yl]-2-phenylacetamide (CID 58055758) is N,N-diethyl-2-[4-[2-fluoro-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]piperazin-1-yl]-2-phenylacetamide.
What is the SMILES notation for N,N-diethyl-2-[4-[2-fluoro-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]piperazin-1-yl]-2-phenylacetamide?
The canonical SMILES for N,N-diethyl-2-[4-[2-fluoro-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]piperazin-1-yl]-2-phenylacetamide is CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3nc(C(C)C)no3)cc2F)CC1.
What is the InChIKey of N,N-diethyl-2-[4-[2-fluoro-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]piperazin-1-yl]-2-phenylacetamide?
The InChIKey is AIBHVTSSZVDNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34FN5O2/c1-5-31(6-2)27(34)24(20-10-8-7-9-11-20)33-16-14-32(15-17-33)23-13-12-21(18-22(23)28)26-29-25(19(3)4)30-35-26/h7-13,18-19,24H,5-6,14-17H2,1-4H3.
What are the key properties of N,N-diethyl-2-[4-[2-fluoro-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]piperazin-1-yl]-2-phenylacetamide?
N,N-diethyl-2-[4-[2-fluoro-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]piperazin-1-yl]-2-phenylacetamide has a molecular weight of 479.60 g/mol, XLogP of 4.73, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4-[2-fluoro-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]piperazin-1-yl]-2-phenylacetamide is sourced from PubChem (CID 58055758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).