3-amino-N-[5-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]pentyl]-N-methylcyclopentane-1-carboxamide

C21H28FN3O2 — CID 119758443

IUPAC3-amino-N-[5-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]pentyl]-N-methylcyclopentane-1-carboxamide
SMILESCN(CCCCCc1cc(-c2cccc(F)c2)no1)C(=O)C1CCC(N)C1
InChIInChI=1S/C21H28FN3O2/c1-25(21(26)16-9-10-18(23)13-16)11-4-2-3-8-19-14-20(24-27-19)15-6-5-7-17(22)12-15/h5-7,12,14,16,18H,2-4,8-11,13,23H2,1H3
InChIKeyBJFDWWOOVOHQKF-UHFFFAOYSA-N
MW373.47 g/mol
LogP3.78
Rot. Bonds8

About 3-amino-N-[5-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]pentyl]-N-methylcyclopentane-1-carboxamide

3-amino-N-[5-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]pentyl]-N-methylcyclopentane-1-carboxamide (PubChem CID 119758443) has the molecular formula C21H28FN3O2 and a molecular weight of 373.47 g/mol. Its IUPAC name is 3-amino-N-[5-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]pentyl]-N-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[5-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]pentyl]-N-methylcyclopentane-1-carboxamide
PubChem CID119758443
Molecular FormulaC21H28FN3O2
Molecular Weight373.47 g/mol
Exact Mass373.22
IUPAC Name3-amino-N-[5-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]pentyl]-N-methylcyclopentane-1-carboxamide
SMILESCN(CCCCCc1cc(-c2cccc(F)c2)no1)C(=O)C1CCC(N)C1
InChIInChI=1S/C21H28FN3O2/c1-25(21(26)16-9-10-18(23)13-16)11-4-2-3-8-19-14-20(24-27-19)15-6-5-7-17(22)12-15/h5-7,12,14,16,18H,2-4,8-11,13,23H2,1H3
InChIKeyBJFDWWOOVOHQKF-UHFFFAOYSA-N
XLogP3.78
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.47
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[5-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]pentyl]-N-methylcyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[5-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]pentyl]-N-methylcyclopentane-1-carboxamide (CID 119758443) is 3-amino-N-[5-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]pentyl]-N-methylcyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[5-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]pentyl]-N-methylcyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[5-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]pentyl]-N-methylcyclopentane-1-carboxamide is CN(CCCCCc1cc(-c2cccc(F)c2)no1)C(=O)C1CCC(N)C1.
What is the InChIKey of 3-amino-N-[5-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]pentyl]-N-methylcyclopentane-1-carboxamide?
The InChIKey is BJFDWWOOVOHQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FN3O2/c1-25(21(26)16-9-10-18(23)13-16)11-4-2-3-8-19-14-20(24-27-19)15-6-5-7-17(22)12-15/h5-7,12,14,16,18H,2-4,8-11,13,23H2,1H3.
What are the key properties of 3-amino-N-[5-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]pentyl]-N-methylcyclopentane-1-carboxamide?
3-amino-N-[5-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]pentyl]-N-methylcyclopentane-1-carboxamide has a molecular weight of 373.47 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[5-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]pentyl]-N-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 119758443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).