2-cyclopentylidene-N-[[5-[4-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]methyl]propanamide

C18H19F2N3O3 — CID 167984017

IUPAC2-cyclopentylidene-N-[[5-[4-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]methyl]propanamide
SMILESCC(C(=O)NCc1noc(-c2ccc(OC(F)F)cc2)n1)=C1CCCC1
InChIInChI=1S/C18H19F2N3O3/c1-11(12-4-2-3-5-12)16(24)21-10-15-22-17(26-23-15)13-6-8-14(9-7-13)25-18(19)20/h6-9,18H,2-5,10H2,1H3,(H,21,24)
InChIKeyWGKJZXNAZITAAU-UHFFFAOYSA-N
MW363.36 g/mol
LogP3.84
Rot. Bonds6

About 2-cyclopentylidene-N-[[5-[4-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]methyl]propanamide

2-cyclopentylidene-N-[[5-[4-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]methyl]propanamide (PubChem CID 167984017) has the molecular formula C18H19F2N3O3 and a molecular weight of 363.36 g/mol. Its IUPAC name is 2-cyclopentylidene-N-[[5-[4-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]methyl]propanamide.

Molecular Properties

Compound Name2-cyclopentylidene-N-[[5-[4-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]methyl]propanamide
PubChem CID167984017
Molecular FormulaC18H19F2N3O3
Molecular Weight363.36 g/mol
Exact Mass363.14
IUPAC Name2-cyclopentylidene-N-[[5-[4-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]methyl]propanamide
SMILESCC(C(=O)NCc1noc(-c2ccc(OC(F)F)cc2)n1)=C1CCCC1
InChIInChI=1S/C18H19F2N3O3/c1-11(12-4-2-3-5-12)16(24)21-10-15-22-17(26-23-15)13-6-8-14(9-7-13)25-18(19)20/h6-9,18H,2-5,10H2,1H3,(H,21,24)
InChIKeyWGKJZXNAZITAAU-UHFFFAOYSA-N
XLogP3.84
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.36
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(azetidin-3-ylidene)-N-[[4-(difluoromethoxy)phenyl]methyl]propanamide
CID 116677152
3-[5-[4-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 55102222
(1S)-1-[4-(difluoromethoxy)phenyl]-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1-phenylmethanamine
CID 51933445
1-[[4-(difluoromethoxy)phenyl]methyl]-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]urea
CID 56519322
N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylpropanamide
CID 53049075
3-methoxy-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 53049063
N-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2,2-dimethylpropanamide
CID 53098271
2-(3-fluorophenyl)-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide
CID 53049081
(3S)-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]oxolane-3-carboxamide
CID 95062342
N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]oxolane-3-carboxamide
CID 53049086
(2S)-2-(3-chlorophenoxy)-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]propanamide
CID 95062327
4-fluoro-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 3506531

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylidene-N-[[5-[4-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]methyl]propanamide?
The IUPAC name of 2-cyclopentylidene-N-[[5-[4-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]methyl]propanamide (CID 167984017) is 2-cyclopentylidene-N-[[5-[4-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]methyl]propanamide.
What is the SMILES notation for 2-cyclopentylidene-N-[[5-[4-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]methyl]propanamide?
The canonical SMILES for 2-cyclopentylidene-N-[[5-[4-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]methyl]propanamide is CC(C(=O)NCc1noc(-c2ccc(OC(F)F)cc2)n1)=C1CCCC1.
What is the InChIKey of 2-cyclopentylidene-N-[[5-[4-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]methyl]propanamide?
The InChIKey is WGKJZXNAZITAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O3/c1-11(12-4-2-3-5-12)16(24)21-10-15-22-17(26-23-15)13-6-8-14(9-7-13)25-18(19)20/h6-9,18H,2-5,10H2,1H3,(H,21,24).
What are the key properties of 2-cyclopentylidene-N-[[5-[4-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]methyl]propanamide?
2-cyclopentylidene-N-[[5-[4-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]methyl]propanamide has a molecular weight of 363.36 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylidene-N-[[5-[4-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]methyl]propanamide is sourced from PubChem (CID 167984017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).