7-[6-chloro-1-[(5-methyl-1,2-oxazol-3-yl)methyl]indole-3-carbonyl]-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one

C26H21ClFN3O4 — CID 91412628

IUPAC7-[6-chloro-1-[(5-methyl-1,2-oxazol-3-yl)methyl]indole-3-carbonyl]-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESCc1cc(Cn2cc(C(=O)c3c(F)ccc4c3C(=O)OC43CCNCC3)c3ccc(Cl)cc32)no1
InChIInChI=1S/C26H21ClFN3O4/c1-14-10-16(30-35-14)12-31-13-18(17-3-2-15(27)11-21(17)31)24(32)23-20(28)5-4-19-22(23)25(33)34-26(19)6-8-29-9-7-26/h2-5,10-11,13,29H,6-9,12H2,1H3
InChIKeyUWIQLPFANZSUMQ-UHFFFAOYSA-N
MW493.92 g/mol
LogP4.76
Rot. Bonds4

About 7-[6-chloro-1-[(5-methyl-1,2-oxazol-3-yl)methyl]indole-3-carbonyl]-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one

7-[6-chloro-1-[(5-methyl-1,2-oxazol-3-yl)methyl]indole-3-carbonyl]-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one (PubChem CID 91412628) has the molecular formula C26H21ClFN3O4 and a molecular weight of 493.92 g/mol. Its IUPAC name is 7-[6-chloro-1-[(5-methyl-1,2-oxazol-3-yl)methyl]indole-3-carbonyl]-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one.

Molecular Properties

Compound Name7-[6-chloro-1-[(5-methyl-1,2-oxazol-3-yl)methyl]indole-3-carbonyl]-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one
PubChem CID91412628
Molecular FormulaC26H21ClFN3O4
Molecular Weight493.92 g/mol
Exact Mass493.12
IUPAC Name7-[6-chloro-1-[(5-methyl-1,2-oxazol-3-yl)methyl]indole-3-carbonyl]-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESCc1cc(Cn2cc(C(=O)c3c(F)ccc4c3C(=O)OC43CCNCC3)c3ccc(Cl)cc32)no1
InChIInChI=1S/C26H21ClFN3O4/c1-14-10-16(30-35-14)12-31-13-18(17-3-2-15(27)11-21(17)31)24(32)23-20(28)5-4-19-22(23)25(33)34-26(19)6-8-29-9-7-26/h2-5,10-11,13,29H,6-9,12H2,1H3
InChIKeyUWIQLPFANZSUMQ-UHFFFAOYSA-N
XLogP4.76
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.92
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[6-chloro-1-[(5-methyl-1,2-oxazol-3-yl)methyl]indole-3-carbonyl]-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one?
The IUPAC name of 7-[6-chloro-1-[(5-methyl-1,2-oxazol-3-yl)methyl]indole-3-carbonyl]-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one (CID 91412628) is 7-[6-chloro-1-[(5-methyl-1,2-oxazol-3-yl)methyl]indole-3-carbonyl]-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one.
What is the SMILES notation for 7-[6-chloro-1-[(5-methyl-1,2-oxazol-3-yl)methyl]indole-3-carbonyl]-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one?
The canonical SMILES for 7-[6-chloro-1-[(5-methyl-1,2-oxazol-3-yl)methyl]indole-3-carbonyl]-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one is Cc1cc(Cn2cc(C(=O)c3c(F)ccc4c3C(=O)OC43CCNCC3)c3ccc(Cl)cc32)no1.
What is the InChIKey of 7-[6-chloro-1-[(5-methyl-1,2-oxazol-3-yl)methyl]indole-3-carbonyl]-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one?
The InChIKey is UWIQLPFANZSUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClFN3O4/c1-14-10-16(30-35-14)12-31-13-18(17-3-2-15(27)11-21(17)31)24(32)23-20(28)5-4-19-22(23)25(33)34-26(19)6-8-29-9-7-26/h2-5,10-11,13,29H,6-9,12H2,1H3.
What are the key properties of 7-[6-chloro-1-[(5-methyl-1,2-oxazol-3-yl)methyl]indole-3-carbonyl]-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one?
7-[6-chloro-1-[(5-methyl-1,2-oxazol-3-yl)methyl]indole-3-carbonyl]-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one has a molecular weight of 493.92 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-chloro-1-[(5-methyl-1,2-oxazol-3-yl)methyl]indole-3-carbonyl]-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one is sourced from PubChem (CID 91412628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).