N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-5-fluorophenyl]-4-methoxybenzamide

C21H21FN4O3 — CID 120857322

IUPACN-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-5-fluorophenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(F)ccc2-c2nc(C3(N)CCCC3)no2)cc1
InChIInChI=1S/C21H21FN4O3/c1-28-15-7-4-13(5-8-15)18(27)24-17-12-14(22)6-9-16(17)19-25-20(26-29-19)21(23)10-2-3-11-21/h4-9,12H,2-3,10-11,23H2,1H3,(H,24,27)
InChIKeyVXBCYGSZSHQZIS-UHFFFAOYSA-N
MW396.42 g/mol
LogP3.86
Rot. Bonds5

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

N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-5-fluorophenyl]-4-methoxybenzamide (PubChem CID 120857322) has the molecular formula C21H21FN4O3 and a molecular weight of 396.42 g/mol. Its IUPAC name is N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-5-fluorophenyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-5-fluorophenyl]-4-methoxybenzamide
PubChem CID120857322
Molecular FormulaC21H21FN4O3
Molecular Weight396.42 g/mol
Exact Mass396.16
IUPAC NameN-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-5-fluorophenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(F)ccc2-c2nc(C3(N)CCCC3)no2)cc1
InChIInChI=1S/C21H21FN4O3/c1-28-15-7-4-13(5-8-15)18(27)24-17-12-14(22)6-9-16(17)19-25-20(26-29-19)21(23)10-2-3-11-21/h4-9,12H,2-3,10-11,23H2,1H3,(H,24,27)
InChIKeyVXBCYGSZSHQZIS-UHFFFAOYSA-N
XLogP3.86
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-(2-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120850187
1-[5-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 61351511
N-[5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]-4-methoxybenzamide
CID 120855614
N-[5-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]-4-methoxybenzamide
CID 120863210
N-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methoxybenzamide
CID 120850243
1-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61354112
4-fluoro-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 4973284
1-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120854803
1-[5-[2-(difluoromethoxy)-4-fluorophenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120851776
4-fluoro-2-[(4-methoxybenzoyl)amino]benzoic acid
CID 16785950
N-(5-fluoro-2-pyrrolidin-1-ylphenyl)-4-methoxybenzamide
CID 113092344
N-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]-4-ethylbenzamide
CID 120850419

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-5-fluorophenyl]-4-methoxybenzamide?
The IUPAC name of N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-5-fluorophenyl]-4-methoxybenzamide (CID 120857322) is N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-5-fluorophenyl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-5-fluorophenyl]-4-methoxybenzamide?
The canonical SMILES for N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-5-fluorophenyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2cc(F)ccc2-c2nc(C3(N)CCCC3)no2)cc1.
What is the InChIKey of N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-5-fluorophenyl]-4-methoxybenzamide?
The InChIKey is VXBCYGSZSHQZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O3/c1-28-15-7-4-13(5-8-15)18(27)24-17-12-14(22)6-9-16(17)19-25-20(26-29-19)21(23)10-2-3-11-21/h4-9,12H,2-3,10-11,23H2,1H3,(H,24,27).
What are the key properties of N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-5-fluorophenyl]-4-methoxybenzamide?
N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-5-fluorophenyl]-4-methoxybenzamide has a molecular weight of 396.42 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-5-fluorophenyl]-4-methoxybenzamide is sourced from PubChem (CID 120857322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).