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

C32H35N3O5 — CID 59425439

IUPAC1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,2-oxazol-3-yl)indol-2-yl]phenyl]carbamate
SMILESCC(OC(=O)Nc1ccc(-c2c(-c3ccon3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)C1CC1
InChIInChI=1S/C32H35N3O5/c1-20(21-5-6-21)39-32(36)33-23-9-7-22(8-10-23)31-30(28-15-18-38-34-28)27-12-11-26(40-25-13-16-37-17-14-25)19-29(27)35(31)24-3-2-4-24/h7-12,15,18-21,24-25H,2-6,13-14,16-17H2,1H3,(H,33,36)
InChIKeyRDWDCGZWIHCCJR-UHFFFAOYSA-N
MW541.65 g/mol
LogP7.59
Rot. Bonds8

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

1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,2-oxazol-3-yl)indol-2-yl]phenyl]carbamate (PubChem CID 59425439) has the molecular formula C32H35N3O5 and a molecular weight of 541.65 g/mol. Its IUPAC name is 1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,2-oxazol-3-yl)indol-2-yl]phenyl]carbamate.

Molecular Properties

Compound Name1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,2-oxazol-3-yl)indol-2-yl]phenyl]carbamate
PubChem CID59425439
Molecular FormulaC32H35N3O5
Molecular Weight541.65 g/mol
Exact Mass541.26
IUPAC Name1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,2-oxazol-3-yl)indol-2-yl]phenyl]carbamate
SMILESCC(OC(=O)Nc1ccc(-c2c(-c3ccon3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)C1CC1
InChIInChI=1S/C32H35N3O5/c1-20(21-5-6-21)39-32(36)33-23-9-7-22(8-10-23)31-30(28-15-18-38-34-28)27-12-11-26(40-25-13-16-37-17-14-25)19-29(27)35(31)24-3-2-4-24/h7-12,15,18-21,24-25H,2-6,13-14,16-17H2,1H3,(H,33,36)
InChIKeyRDWDCGZWIHCCJR-UHFFFAOYSA-N
XLogP7.59
TPSA87.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.65
LogP ≤ 57.59
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-(1,2-oxazol-3-yl)indol-2-yl]phenyl]carbamate?
The IUPAC name of 1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,2-oxazol-3-yl)indol-2-yl]phenyl]carbamate (CID 59425439) is 1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,2-oxazol-3-yl)indol-2-yl]phenyl]carbamate.
What is the SMILES notation for 1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,2-oxazol-3-yl)indol-2-yl]phenyl]carbamate?
The canonical SMILES for 1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,2-oxazol-3-yl)indol-2-yl]phenyl]carbamate is CC(OC(=O)Nc1ccc(-c2c(-c3ccon3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)C1CC1.
What is the InChIKey of 1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,2-oxazol-3-yl)indol-2-yl]phenyl]carbamate?
The InChIKey is RDWDCGZWIHCCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N3O5/c1-20(21-5-6-21)39-32(36)33-23-9-7-22(8-10-23)31-30(28-15-18-38-34-28)27-12-11-26(40-25-13-16-37-17-14-25)19-29(27)35(31)24-3-2-4-24/h7-12,15,18-21,24-25H,2-6,13-14,16-17H2,1H3,(H,33,36).
What are the key properties of 1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,2-oxazol-3-yl)indol-2-yl]phenyl]carbamate?
1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,2-oxazol-3-yl)indol-2-yl]phenyl]carbamate has a molecular weight of 541.65 g/mol, XLogP of 7.59, 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-(1,2-oxazol-3-yl)indol-2-yl]phenyl]carbamate is sourced from PubChem (CID 59425439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).