2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(5-methyl-1,2-oxazol-3-yl)-(oxan-4-yl)methyl]pyrido[3,2-b]indol-7-yl]propan-2-ol

C29H32N4O4 — CID 118201231

IUPAC2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(5-methyl-1,2-oxazol-3-yl)-(oxan-4-yl)methyl]pyrido[3,2-b]indol-7-yl]propan-2-ol
SMILESCc1cc(C(C2CCOCC2)n2c3cc(C(C)(C)O)ccc3c3ncc(-c4c(C)noc4C)cc32)no1
InChIInChI=1S/C29H32N4O4/c1-16-12-23(32-36-16)28(19-8-10-35-11-9-19)33-24-14-21(29(4,5)34)6-7-22(24)27-25(33)13-20(15-30-27)26-17(2)31-37-18(26)3/h6-7,12-15,19,28,34H,8-11H2,1-5H3
InChIKeyFIHVMCGDZLUOFX-UHFFFAOYSA-N
MW500.60 g/mol
LogP6.00
Rot. Bonds5

About 2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(5-methyl-1,2-oxazol-3-yl)-(oxan-4-yl)methyl]pyrido[3,2-b]indol-7-yl]propan-2-ol

2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(5-methyl-1,2-oxazol-3-yl)-(oxan-4-yl)methyl]pyrido[3,2-b]indol-7-yl]propan-2-ol (PubChem CID 118201231) has the molecular formula C29H32N4O4 and a molecular weight of 500.60 g/mol. Its IUPAC name is 2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(5-methyl-1,2-oxazol-3-yl)-(oxan-4-yl)methyl]pyrido[3,2-b]indol-7-yl]propan-2-ol.

Molecular Properties

Compound Name2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(5-methyl-1,2-oxazol-3-yl)-(oxan-4-yl)methyl]pyrido[3,2-b]indol-7-yl]propan-2-ol
PubChem CID118201231
Molecular FormulaC29H32N4O4
Molecular Weight500.60 g/mol
Exact Mass500.24
IUPAC Name2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(5-methyl-1,2-oxazol-3-yl)-(oxan-4-yl)methyl]pyrido[3,2-b]indol-7-yl]propan-2-ol
SMILESCc1cc(C(C2CCOCC2)n2c3cc(C(C)(C)O)ccc3c3ncc(-c4c(C)noc4C)cc32)no1
InChIInChI=1S/C29H32N4O4/c1-16-12-23(32-36-16)28(19-8-10-35-11-9-19)33-24-14-21(29(4,5)34)6-7-22(24)27-25(33)13-20(15-30-27)26-17(2)31-37-18(26)3/h6-7,12-15,19,28,34H,8-11H2,1-5H3
InChIKeyFIHVMCGDZLUOFX-UHFFFAOYSA-N
XLogP6.00
TPSA99.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.60
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(5-methyl-1,2-oxazol-3-yl)-(oxan-4-yl)methyl]pyrido[3,2-b]indol-7-yl]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(5-methyl-1,2-oxazol-3-yl)-(oxan-4-yl)methyl]pyrido[3,2-b]indol-7-yl]propan-2-ol?
The IUPAC name of 2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(5-methyl-1,2-oxazol-3-yl)-(oxan-4-yl)methyl]pyrido[3,2-b]indol-7-yl]propan-2-ol (CID 118201231) is 2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(5-methyl-1,2-oxazol-3-yl)-(oxan-4-yl)methyl]pyrido[3,2-b]indol-7-yl]propan-2-ol.
What is the SMILES notation for 2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(5-methyl-1,2-oxazol-3-yl)-(oxan-4-yl)methyl]pyrido[3,2-b]indol-7-yl]propan-2-ol?
The canonical SMILES for 2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(5-methyl-1,2-oxazol-3-yl)-(oxan-4-yl)methyl]pyrido[3,2-b]indol-7-yl]propan-2-ol is Cc1cc(C(C2CCOCC2)n2c3cc(C(C)(C)O)ccc3c3ncc(-c4c(C)noc4C)cc32)no1.
What is the InChIKey of 2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(5-methyl-1,2-oxazol-3-yl)-(oxan-4-yl)methyl]pyrido[3,2-b]indol-7-yl]propan-2-ol?
The InChIKey is FIHVMCGDZLUOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O4/c1-16-12-23(32-36-16)28(19-8-10-35-11-9-19)33-24-14-21(29(4,5)34)6-7-22(24)27-25(33)13-20(15-30-27)26-17(2)31-37-18(26)3/h6-7,12-15,19,28,34H,8-11H2,1-5H3.
What are the key properties of 2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(5-methyl-1,2-oxazol-3-yl)-(oxan-4-yl)methyl]pyrido[3,2-b]indol-7-yl]propan-2-ol?
2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(5-methyl-1,2-oxazol-3-yl)-(oxan-4-yl)methyl]pyrido[3,2-b]indol-7-yl]propan-2-ol has a molecular weight of 500.60 g/mol, XLogP of 6.00, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(5-methyl-1,2-oxazol-3-yl)-(oxan-4-yl)methyl]pyrido[3,2-b]indol-7-yl]propan-2-ol is sourced from PubChem (CID 118201231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).