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

C26H27F2N3O3 — CID 59762449

IUPACN-[(3,4-difluorophenyl)methyl]-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-yl-6-propoxyindole-3-carboxamide
SMILESCCCOc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ncco3)c2c1
InChIInChI=1S/C26H27F2N3O3/c1-4-10-33-18-6-7-19-22(13-18)31(15-23-29-9-11-34-23)25(16(2)3)24(19)26(32)30-14-17-5-8-20(27)21(28)12-17/h5-9,11-13,16H,4,10,14-15H2,1-3H3,(H,30,32)
InChIKeyVQOCCQVWPMXHLI-UHFFFAOYSA-N
MW467.52 g/mol
LogP5.80
Rot. Bonds9

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

N-[(3,4-difluorophenyl)methyl]-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-yl-6-propoxyindole-3-carboxamide (PubChem CID 59762449) has the molecular formula C26H27F2N3O3 and a molecular weight of 467.52 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-yl-6-propoxyindole-3-carboxamide.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-yl-6-propoxyindole-3-carboxamide
PubChem CID59762449
Molecular FormulaC26H27F2N3O3
Molecular Weight467.52 g/mol
Exact Mass467.20
IUPAC NameN-[(3,4-difluorophenyl)methyl]-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-yl-6-propoxyindole-3-carboxamide
SMILESCCCOc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ncco3)c2c1
InChIInChI=1S/C26H27F2N3O3/c1-4-10-33-18-6-7-19-22(13-18)31(15-23-29-9-11-34-23)25(16(2)3)24(19)26(32)30-14-17-5-8-20(27)21(28)12-17/h5-9,11-13,16H,4,10,14-15H2,1-3H3,(H,30,32)
InChIKeyVQOCCQVWPMXHLI-UHFFFAOYSA-N
XLogP5.80
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.52
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-yl-6-propoxyindole-3-carboxamide?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-yl-6-propoxyindole-3-carboxamide (CID 59762449) is N-[(3,4-difluorophenyl)methyl]-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-yl-6-propoxyindole-3-carboxamide.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-yl-6-propoxyindole-3-carboxamide?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-yl-6-propoxyindole-3-carboxamide is CCCOc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ncco3)c2c1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-yl-6-propoxyindole-3-carboxamide?
The InChIKey is VQOCCQVWPMXHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F2N3O3/c1-4-10-33-18-6-7-19-22(13-18)31(15-23-29-9-11-34-23)25(16(2)3)24(19)26(32)30-14-17-5-8-20(27)21(28)12-17/h5-9,11-13,16H,4,10,14-15H2,1-3H3,(H,30,32).
What are the key properties of N-[(3,4-difluorophenyl)methyl]-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-yl-6-propoxyindole-3-carboxamide?
N-[(3,4-difluorophenyl)methyl]-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-yl-6-propoxyindole-3-carboxamide has a molecular weight of 467.52 g/mol, XLogP of 5.80, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-1-(1,3-oxazol-2-ylmethyl)-2-propan-2-yl-6-propoxyindole-3-carboxamide is sourced from PubChem (CID 59762449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).