2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide

C22H21N5O4 — CID 66604689

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide
SMILESCc1noc(C)c1-c1cc(C(N)=O)c2[nH]c3cc(C(=O)N4CCOCC4)ccc3c2n1
InChIInChI=1S/C22H21N5O4/c1-11-18(12(2)31-26-11)17-10-15(21(23)28)20-19(25-17)14-4-3-13(9-16(14)24-20)22(29)27-5-7-30-8-6-27/h3-4,9-10,24H,5-8H2,1-2H3,(H2,23,28)
InChIKeyBZWPECKJDXQWOS-UHFFFAOYSA-N
MW419.44 g/mol
LogP2.56
Rot. Bonds3

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide

2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide (PubChem CID 66604689) has the molecular formula C22H21N5O4 and a molecular weight of 419.44 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide
PubChem CID66604689
Molecular FormulaC22H21N5O4
Molecular Weight419.44 g/mol
Exact Mass419.16
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide
SMILESCc1noc(C)c1-c1cc(C(N)=O)c2[nH]c3cc(C(=O)N4CCOCC4)ccc3c2n1
InChIInChI=1S/C22H21N5O4/c1-11-18(12(2)31-26-11)17-10-15(21(23)28)20-19(25-17)14-4-3-13(9-16(14)24-20)22(29)27-5-7-30-8-6-27/h3-4,9-10,24H,5-8H2,1-2H3,(H2,23,28)
InChIKeyBZWPECKJDXQWOS-UHFFFAOYSA-N
XLogP2.56
TPSA127.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide (CID 66604689) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide is Cc1noc(C)c1-c1cc(C(N)=O)c2[nH]c3cc(C(=O)N4CCOCC4)ccc3c2n1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide?
The InChIKey is BZWPECKJDXQWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O4/c1-11-18(12(2)31-26-11)17-10-15(21(23)28)20-19(25-17)14-4-3-13(9-16(14)24-20)22(29)27-5-7-30-8-6-27/h3-4,9-10,24H,5-8H2,1-2H3,(H2,23,28).
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide has a molecular weight of 419.44 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide is sourced from PubChem (CID 66604689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).