7-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-carbonyl)-3H-1,3-benzoxazol-2-one

C20H17FN2O3 — CID 166179900

IUPAC7-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-carbonyl)-3H-1,3-benzoxazol-2-one
SMILESO=C(c1cccc2[nH]c(=O)oc12)N1CC2(CCCC2)c2c(F)cccc21
InChIInChI=1S/C20H17FN2O3/c21-13-6-4-8-15-16(13)20(9-1-2-10-20)11-23(15)18(24)12-5-3-7-14-17(12)26-19(25)22-14/h3-8H,1-2,9-11H2,(H,22,25)
InChIKeyJRMPSKWTOZGQBR-UHFFFAOYSA-N
MW352.37 g/mol
LogP3.73
Rot. Bonds1

About 7-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-carbonyl)-3H-1,3-benzoxazol-2-one

7-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-carbonyl)-3H-1,3-benzoxazol-2-one (PubChem CID 166179900) has the molecular formula C20H17FN2O3 and a molecular weight of 352.37 g/mol. Its IUPAC name is 7-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-carbonyl)-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name7-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-carbonyl)-3H-1,3-benzoxazol-2-one
PubChem CID166179900
Molecular FormulaC20H17FN2O3
Molecular Weight352.37 g/mol
Exact Mass352.12
IUPAC Name7-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-carbonyl)-3H-1,3-benzoxazol-2-one
SMILESO=C(c1cccc2[nH]c(=O)oc12)N1CC2(CCCC2)c2c(F)cccc21
InChIInChI=1S/C20H17FN2O3/c21-13-6-4-8-15-16(13)20(9-1-2-10-20)11-23(15)18(24)12-5-3-7-14-17(12)26-19(25)22-14/h3-8H,1-2,9-11H2,(H,22,25)
InChIKeyJRMPSKWTOZGQBR-UHFFFAOYSA-N
XLogP3.73
TPSA66.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 164513274
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CID 53176926
CID 53176926
CID 53177139
CID 53177139
CID 134790796
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CID 124208281
CID 124208281
CID 126803266
CID 126803266
CID 164629852
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CID 164632623
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CID 164633300
CID 164633300

Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-carbonyl)-3H-1,3-benzoxazol-2-one?
The IUPAC name of 7-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-carbonyl)-3H-1,3-benzoxazol-2-one (CID 166179900) is 7-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-carbonyl)-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 7-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-carbonyl)-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 7-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-carbonyl)-3H-1,3-benzoxazol-2-one is O=C(c1cccc2[nH]c(=O)oc12)N1CC2(CCCC2)c2c(F)cccc21.
What is the InChIKey of 7-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-carbonyl)-3H-1,3-benzoxazol-2-one?
The InChIKey is JRMPSKWTOZGQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O3/c21-13-6-4-8-15-16(13)20(9-1-2-10-20)11-23(15)18(24)12-5-3-7-14-17(12)26-19(25)22-14/h3-8H,1-2,9-11H2,(H,22,25).
What are the key properties of 7-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-carbonyl)-3H-1,3-benzoxazol-2-one?
7-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-carbonyl)-3H-1,3-benzoxazol-2-one has a molecular weight of 352.37 g/mol, XLogP of 3.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-carbonyl)-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 166179900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).