1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)-1,3-oxazol-2-yl]indol-2-yl]phenyl]carbamate

C33H34F3N3O5 — CID 59425982

IUPAC1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)-1,3-oxazol-2-yl]indol-2-yl]phenyl]carbamate
SMILESCC(OC(=O)Nc1ccc(-c2c(-c3nc(C(F)(F)F)co3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)C1CC1
InChIInChI=1S/C33H34F3N3O5/c1-19(20-5-6-20)43-32(40)37-22-9-7-21(8-10-22)30-29(31-38-28(18-42-31)33(34,35)36)26-12-11-25(44-24-13-15-41-16-14-24)17-27(26)39(30)23-3-2-4-23/h7-12,17-20,23-24H,2-6,13-16H2,1H3,(H,37,40)
InChIKeyZYJDQWKHYWBUSM-UHFFFAOYSA-N
MW609.65 g/mol
LogP8.61
Rot. Bonds8

About 1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)-1,3-oxazol-2-yl]indol-2-yl]phenyl]carbamate

1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)-1,3-oxazol-2-yl]indol-2-yl]phenyl]carbamate (PubChem CID 59425982) has the molecular formula C33H34F3N3O5 and a molecular weight of 609.65 g/mol. Its IUPAC name is 1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)-1,3-oxazol-2-yl]indol-2-yl]phenyl]carbamate.

Molecular Properties

Compound Name1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)-1,3-oxazol-2-yl]indol-2-yl]phenyl]carbamate
PubChem CID59425982
Molecular FormulaC33H34F3N3O5
Molecular Weight609.65 g/mol
Exact Mass609.25
IUPAC Name1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)-1,3-oxazol-2-yl]indol-2-yl]phenyl]carbamate
SMILESCC(OC(=O)Nc1ccc(-c2c(-c3nc(C(F)(F)F)co3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)C1CC1
InChIInChI=1S/C33H34F3N3O5/c1-19(20-5-6-20)43-32(40)37-22-9-7-21(8-10-22)30-29(31-38-28(18-42-31)33(34,35)36)26-12-11-25(44-24-13-15-41-16-14-24)17-27(26)39(30)23-3-2-4-23/h7-12,17-20,23-24H,2-6,13-16H2,1H3,(H,37,40)
InChIKeyZYJDQWKHYWBUSM-UHFFFAOYSA-N
XLogP8.61
TPSA87.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.65
LogP ≤ 58.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)-1,3-oxazol-2-yl]indol-2-yl]phenyl]carbamate?
The IUPAC name of 1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)-1,3-oxazol-2-yl]indol-2-yl]phenyl]carbamate (CID 59425982) is 1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)-1,3-oxazol-2-yl]indol-2-yl]phenyl]carbamate.
What is the SMILES notation for 1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)-1,3-oxazol-2-yl]indol-2-yl]phenyl]carbamate?
The canonical SMILES for 1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)-1,3-oxazol-2-yl]indol-2-yl]phenyl]carbamate is CC(OC(=O)Nc1ccc(-c2c(-c3nc(C(F)(F)F)co3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)C1CC1.
What is the InChIKey of 1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)-1,3-oxazol-2-yl]indol-2-yl]phenyl]carbamate?
The InChIKey is ZYJDQWKHYWBUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34F3N3O5/c1-19(20-5-6-20)43-32(40)37-22-9-7-21(8-10-22)30-29(31-38-28(18-42-31)33(34,35)36)26-12-11-25(44-24-13-15-41-16-14-24)17-27(26)39(30)23-3-2-4-23/h7-12,17-20,23-24H,2-6,13-16H2,1H3,(H,37,40).
What are the key properties of 1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)-1,3-oxazol-2-yl]indol-2-yl]phenyl]carbamate?
1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)-1,3-oxazol-2-yl]indol-2-yl]phenyl]carbamate has a molecular weight of 609.65 g/mol, XLogP of 8.61, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)-1,3-oxazol-2-yl]indol-2-yl]phenyl]carbamate is sourced from PubChem (CID 59425982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).