6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-propan-2-ylindole-3-carboxamide

C29H31F2N3O3 — CID 59762280

IUPAC6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-propan-2-ylindole-3-carboxamide
SMILESCc1cc(Cn2c(C(C)C)c(C(=O)NCc3ccc(F)c(F)c3)c3ccc(OC4CCCC4)cc32)no1
InChIInChI=1S/C29H31F2N3O3/c1-17(2)28-27(29(35)32-15-19-8-11-24(30)25(31)13-19)23-10-9-22(36-21-6-4-5-7-21)14-26(23)34(28)16-20-12-18(3)37-33-20/h8-14,17,21H,4-7,15-16H2,1-3H3,(H,32,35)
InChIKeyHLHNKWBWXOSVQW-UHFFFAOYSA-N
MW507.58 g/mol
LogP6.64
Rot. Bonds8

About 6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-propan-2-ylindole-3-carboxamide

6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-propan-2-ylindole-3-carboxamide (PubChem CID 59762280) has the molecular formula C29H31F2N3O3 and a molecular weight of 507.58 g/mol. Its IUPAC name is 6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-propan-2-ylindole-3-carboxamide.

Molecular Properties

Compound Name6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-propan-2-ylindole-3-carboxamide
PubChem CID59762280
Molecular FormulaC29H31F2N3O3
Molecular Weight507.58 g/mol
Exact Mass507.23
IUPAC Name6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-propan-2-ylindole-3-carboxamide
SMILESCc1cc(Cn2c(C(C)C)c(C(=O)NCc3ccc(F)c(F)c3)c3ccc(OC4CCCC4)cc32)no1
InChIInChI=1S/C29H31F2N3O3/c1-17(2)28-27(29(35)32-15-19-8-11-24(30)25(31)13-19)23-10-9-22(36-21-6-4-5-7-21)14-26(23)34(28)16-20-12-18(3)37-33-20/h8-14,17,21H,4-7,15-16H2,1-3H3,(H,32,35)
InChIKeyHLHNKWBWXOSVQW-UHFFFAOYSA-N
XLogP6.64
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.58
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-propan-2-ylindole-3-carboxamide?
The IUPAC name of 6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-propan-2-ylindole-3-carboxamide (CID 59762280) is 6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-propan-2-ylindole-3-carboxamide.
What is the SMILES notation for 6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-propan-2-ylindole-3-carboxamide?
The canonical SMILES for 6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-propan-2-ylindole-3-carboxamide is Cc1cc(Cn2c(C(C)C)c(C(=O)NCc3ccc(F)c(F)c3)c3ccc(OC4CCCC4)cc32)no1.
What is the InChIKey of 6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-propan-2-ylindole-3-carboxamide?
The InChIKey is HLHNKWBWXOSVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31F2N3O3/c1-17(2)28-27(29(35)32-15-19-8-11-24(30)25(31)13-19)23-10-9-22(36-21-6-4-5-7-21)14-26(23)34(28)16-20-12-18(3)37-33-20/h8-14,17,21H,4-7,15-16H2,1-3H3,(H,32,35).
What are the key properties of 6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-propan-2-ylindole-3-carboxamide?
6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-propan-2-ylindole-3-carboxamide has a molecular weight of 507.58 g/mol, XLogP of 6.64, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-propan-2-ylindole-3-carboxamide is sourced from PubChem (CID 59762280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).