N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C22H16N4O4 — CID 46416055

IUPACN-(2-cyclopropyl-1,3-benzoxazol-5-yl)-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(-c3ccco3)cc(C(=O)Nc3ccc4oc(C5CC5)nc4c3)c12
InChIInChI=1S/C22H16N4O4/c1-11-19-14(10-16(17-3-2-8-28-17)25-22(19)30-26-11)20(27)23-13-6-7-18-15(9-13)24-21(29-18)12-4-5-12/h2-3,6-10,12H,4-5H2,1H3,(H,23,27)
InChIKeyKRDHIRYCTHQHOV-UHFFFAOYSA-N
MW400.39 g/mol
LogP5.06
Rot. Bonds4

About N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 46416055) has the molecular formula C22H16N4O4 and a molecular weight of 400.39 g/mol. Its IUPAC name is N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-1,3-benzoxazol-5-yl)-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID46416055
Molecular FormulaC22H16N4O4
Molecular Weight400.39 g/mol
Exact Mass400.12
IUPAC NameN-(2-cyclopropyl-1,3-benzoxazol-5-yl)-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(-c3ccco3)cc(C(=O)Nc3ccc4oc(C5CC5)nc4c3)c12
InChIInChI=1S/C22H16N4O4/c1-11-19-14(10-16(17-3-2-8-28-17)25-22(19)30-26-11)20(27)23-13-6-7-18-15(9-13)24-21(29-18)12-4-5-12/h2-3,6-10,12H,4-5H2,1H3,(H,23,27)
InChIKeyKRDHIRYCTHQHOV-UHFFFAOYSA-N
XLogP5.06
TPSA107.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.39
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide 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 N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 46416055) is N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1noc2nc(-c3ccco3)cc(C(=O)Nc3ccc4oc(C5CC5)nc4c3)c12.
What is the InChIKey of N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is KRDHIRYCTHQHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O4/c1-11-19-14(10-16(17-3-2-8-28-17)25-22(19)30-26-11)20(27)23-13-6-7-18-15(9-13)24-21(29-18)12-4-5-12/h2-3,6-10,12H,4-5H2,1H3,(H,23,27).
What are the key properties of N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 400.39 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 46416055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).