N-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclopentanecarboxamide

C16H18FN3O2 — CID 56790801

IUPACN-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclopentanecarboxamide
SMILESCc1nc(C(NC(=O)C2CCCC2)c2ccccc2F)no1
InChIInChI=1S/C16H18FN3O2/c1-10-18-15(20-22-10)14(12-8-4-5-9-13(12)17)19-16(21)11-6-2-3-7-11/h4-5,8-9,11,14H,2-3,6-7H2,1H3,(H,19,21)
InChIKeyVHCBEZQDMGNNFX-UHFFFAOYSA-N
MW303.34 g/mol
LogP2.91
Rot. Bonds4

About N-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclopentanecarboxamide

N-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclopentanecarboxamide (PubChem CID 56790801) has the molecular formula C16H18FN3O2 and a molecular weight of 303.34 g/mol. Its IUPAC name is N-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclopentanecarboxamide
PubChem CID56790801
Molecular FormulaC16H18FN3O2
Molecular Weight303.34 g/mol
Exact Mass303.14
IUPAC NameN-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclopentanecarboxamide
SMILESCc1nc(C(NC(=O)C2CCCC2)c2ccccc2F)no1
InChIInChI=1S/C16H18FN3O2/c1-10-18-15(20-22-10)14(12-8-4-5-9-13(12)17)19-16(21)11-6-2-3-7-11/h4-5,8-9,11,14H,2-3,6-7H2,1H3,(H,19,21)
InChIKeyVHCBEZQDMGNNFX-UHFFFAOYSA-N
XLogP2.91
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclopentanecarboxamide?
The IUPAC name of N-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclopentanecarboxamide (CID 56790801) is N-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclopentanecarboxamide?
The canonical SMILES for N-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclopentanecarboxamide is Cc1nc(C(NC(=O)C2CCCC2)c2ccccc2F)no1.
What is the InChIKey of N-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclopentanecarboxamide?
The InChIKey is VHCBEZQDMGNNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2/c1-10-18-15(20-22-10)14(12-8-4-5-9-13(12)17)19-16(21)11-6-2-3-7-11/h4-5,8-9,11,14H,2-3,6-7H2,1H3,(H,19,21).
What are the key properties of N-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclopentanecarboxamide?
N-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclopentanecarboxamide has a molecular weight of 303.34 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclopentanecarboxamide is sourced from PubChem (CID 56790801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).