5-methyl-2-[(4-methyl-1,3-oxazol-5-yl)methyl]-3,4-dihydropyrido[4,3-b]indol-1-one

C17H17N3O2 — CID 18957726

IUPAC5-methyl-2-[(4-methyl-1,3-oxazol-5-yl)methyl]-3,4-dihydropyrido[4,3-b]indol-1-one
SMILESCc1ncoc1CN1CCc2c(c3ccccc3n2C)C1=O
InChIInChI=1S/C17H17N3O2/c1-11-15(22-10-18-11)9-20-8-7-14-16(17(20)21)12-5-3-4-6-13(12)19(14)2/h3-6,10H,7-9H2,1-2H3
InChIKeyMKPQNXCDWBSEFV-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.67
Rot. Bonds2

About 5-methyl-2-[(4-methyl-1,3-oxazol-5-yl)methyl]-3,4-dihydropyrido[4,3-b]indol-1-one

5-methyl-2-[(4-methyl-1,3-oxazol-5-yl)methyl]-3,4-dihydropyrido[4,3-b]indol-1-one (PubChem CID 18957726) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 5-methyl-2-[(4-methyl-1,3-oxazol-5-yl)methyl]-3,4-dihydropyrido[4,3-b]indol-1-one.

Molecular Properties

Compound Name5-methyl-2-[(4-methyl-1,3-oxazol-5-yl)methyl]-3,4-dihydropyrido[4,3-b]indol-1-one
PubChem CID18957726
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name5-methyl-2-[(4-methyl-1,3-oxazol-5-yl)methyl]-3,4-dihydropyrido[4,3-b]indol-1-one
SMILESCc1ncoc1CN1CCc2c(c3ccccc3n2C)C1=O
InChIInChI=1S/C17H17N3O2/c1-11-15(22-10-18-11)9-20-8-7-14-16(17(20)21)12-5-3-4-6-13(12)19(14)2/h3-6,10H,7-9H2,1-2H3
InChIKeyMKPQNXCDWBSEFV-UHFFFAOYSA-N
XLogP2.67
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(4-methyl-1,3-oxazol-5-yl)methyl]-3,4-dihydropyrido[4,3-b]indol-1-one?
The IUPAC name of 5-methyl-2-[(4-methyl-1,3-oxazol-5-yl)methyl]-3,4-dihydropyrido[4,3-b]indol-1-one (CID 18957726) is 5-methyl-2-[(4-methyl-1,3-oxazol-5-yl)methyl]-3,4-dihydropyrido[4,3-b]indol-1-one.
What is the SMILES notation for 5-methyl-2-[(4-methyl-1,3-oxazol-5-yl)methyl]-3,4-dihydropyrido[4,3-b]indol-1-one?
The canonical SMILES for 5-methyl-2-[(4-methyl-1,3-oxazol-5-yl)methyl]-3,4-dihydropyrido[4,3-b]indol-1-one is Cc1ncoc1CN1CCc2c(c3ccccc3n2C)C1=O.
What is the InChIKey of 5-methyl-2-[(4-methyl-1,3-oxazol-5-yl)methyl]-3,4-dihydropyrido[4,3-b]indol-1-one?
The InChIKey is MKPQNXCDWBSEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-11-15(22-10-18-11)9-20-8-7-14-16(17(20)21)12-5-3-4-6-13(12)19(14)2/h3-6,10H,7-9H2,1-2H3.
What are the key properties of 5-methyl-2-[(4-methyl-1,3-oxazol-5-yl)methyl]-3,4-dihydropyrido[4,3-b]indol-1-one?
5-methyl-2-[(4-methyl-1,3-oxazol-5-yl)methyl]-3,4-dihydropyrido[4,3-b]indol-1-one has a molecular weight of 295.34 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(4-methyl-1,3-oxazol-5-yl)methyl]-3,4-dihydropyrido[4,3-b]indol-1-one is sourced from PubChem (CID 18957726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).