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

C28H29F2N3O3 — CID 59762369

IUPAC6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxamide
SMILESCC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OC3CCCC3)cc2n1Cc1ncco1
InChIInChI=1S/C28H29F2N3O3/c1-17(2)27-26(28(34)32-15-18-7-10-22(29)23(30)13-18)21-9-8-20(36-19-5-3-4-6-19)14-24(21)33(27)16-25-31-11-12-35-25/h7-14,17,19H,3-6,15-16H2,1-2H3,(H,32,34)
InChIKeyRGTGLNSMAOQELY-UHFFFAOYSA-N
MW493.55 g/mol
LogP6.33
Rot. Bonds8

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

6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxamide (PubChem CID 59762369) has the molecular formula C28H29F2N3O3 and a molecular weight of 493.55 g/mol. Its IUPAC name is 6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxamide.

Molecular Properties

Compound Name6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxamide
PubChem CID59762369
Molecular FormulaC28H29F2N3O3
Molecular Weight493.55 g/mol
Exact Mass493.22
IUPAC Name6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxamide
SMILESCC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OC3CCCC3)cc2n1Cc1ncco1
InChIInChI=1S/C28H29F2N3O3/c1-17(2)27-26(28(34)32-15-18-7-10-22(29)23(30)13-18)21-9-8-20(36-19-5-3-4-6-19)14-24(21)33(27)16-25-31-11-12-35-25/h7-14,17,19H,3-6,15-16H2,1-2H3,(H,32,34)
InChIKeyRGTGLNSMAOQELY-UHFFFAOYSA-N
XLogP6.33
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.55
LogP ≤ 56.33
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-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxamide?
The IUPAC name of 6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxamide (CID 59762369) is 6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxamide.
What is the SMILES notation for 6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxamide?
The canonical SMILES for 6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxamide is CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OC3CCCC3)cc2n1Cc1ncco1.
What is the InChIKey of 6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxamide?
The InChIKey is RGTGLNSMAOQELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F2N3O3/c1-17(2)27-26(28(34)32-15-18-7-10-22(29)23(30)13-18)21-9-8-20(36-19-5-3-4-6-19)14-24(21)33(27)16-25-31-11-12-35-25/h7-14,17,19H,3-6,15-16H2,1-2H3,(H,32,34).
What are the key properties of 6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxamide?
6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxamide has a molecular weight of 493.55 g/mol, XLogP of 6.33, 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-(1,3-oxazol-2-ylmethyl)-2-propan-2-ylindole-3-carboxamide is sourced from PubChem (CID 59762369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).