1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(4-methyl-1,2-oxazol-5-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate

C33H37N3O5 — CID 59425028

IUPAC1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(4-methyl-1,2-oxazol-5-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate
SMILESCc1cnoc1-c1c(-c2ccc(NC(=O)OC(C)C3CC3)cc2)n(C2CCC2)c2cc(OC3CCOCC3)ccc12
InChIInChI=1S/C33H37N3O5/c1-20-19-34-41-32(20)30-28-13-12-27(40-26-14-16-38-17-15-26)18-29(28)36(25-4-3-5-25)31(30)23-8-10-24(11-9-23)35-33(37)39-21(2)22-6-7-22/h8-13,18-19,21-22,25-26H,3-7,14-17H2,1-2H3,(H,35,37)
InChIKeyCGTYMKKTALOEAF-UHFFFAOYSA-N
MW555.68 g/mol
LogP7.90
Rot. Bonds8

About 1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(4-methyl-1,2-oxazol-5-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate

1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(4-methyl-1,2-oxazol-5-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate (PubChem CID 59425028) has the molecular formula C33H37N3O5 and a molecular weight of 555.68 g/mol. Its IUPAC name is 1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(4-methyl-1,2-oxazol-5-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate.

Molecular Properties

Compound Name1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(4-methyl-1,2-oxazol-5-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate
PubChem CID59425028
Molecular FormulaC33H37N3O5
Molecular Weight555.68 g/mol
Exact Mass555.27
IUPAC Name1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(4-methyl-1,2-oxazol-5-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate
SMILESCc1cnoc1-c1c(-c2ccc(NC(=O)OC(C)C3CC3)cc2)n(C2CCC2)c2cc(OC3CCOCC3)ccc12
InChIInChI=1S/C33H37N3O5/c1-20-19-34-41-32(20)30-28-13-12-27(40-26-14-16-38-17-15-26)18-29(28)36(25-4-3-5-25)31(30)23-8-10-24(11-9-23)35-33(37)39-21(2)22-6-7-22/h8-13,18-19,21-22,25-26H,3-7,14-17H2,1-2H3,(H,35,37)
InChIKeyCGTYMKKTALOEAF-UHFFFAOYSA-N
XLogP7.90
TPSA87.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.68
LogP ≤ 57.90
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-3-(4-methyl-1,2-oxazol-5-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate?
The IUPAC name of 1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(4-methyl-1,2-oxazol-5-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate (CID 59425028) is 1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(4-methyl-1,2-oxazol-5-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate.
What is the SMILES notation for 1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(4-methyl-1,2-oxazol-5-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate?
The canonical SMILES for 1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(4-methyl-1,2-oxazol-5-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate is Cc1cnoc1-c1c(-c2ccc(NC(=O)OC(C)C3CC3)cc2)n(C2CCC2)c2cc(OC3CCOCC3)ccc12.
What is the InChIKey of 1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(4-methyl-1,2-oxazol-5-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate?
The InChIKey is CGTYMKKTALOEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37N3O5/c1-20-19-34-41-32(20)30-28-13-12-27(40-26-14-16-38-17-15-26)18-29(28)36(25-4-3-5-25)31(30)23-8-10-24(11-9-23)35-33(37)39-21(2)22-6-7-22/h8-13,18-19,21-22,25-26H,3-7,14-17H2,1-2H3,(H,35,37).
What are the key properties of 1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(4-methyl-1,2-oxazol-5-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate?
1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(4-methyl-1,2-oxazol-5-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate has a molecular weight of 555.68 g/mol, XLogP of 7.90, 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-3-(4-methyl-1,2-oxazol-5-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate is sourced from PubChem (CID 59425028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).