2-[2-(2-cyclopropyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

C20H21N7O2 — CID 90258167

IUPAC2-[2-(2-cyclopropyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCOc1cccc2c1nc(N)n1nc(CCN3Cc4nc(C5CC5)oc4C3)nc21
InChIInChI=1S/C20H21N7O2/c1-28-14-4-2-3-12-17(14)24-20(21)27-18(12)23-16(25-27)7-8-26-9-13-15(10-26)29-19(22-13)11-5-6-11/h2-4,11H,5-10H2,1H3,(H2,21,24)
InChIKeyFADASXSDYBZQQS-UHFFFAOYSA-N
MW391.44 g/mol
LogP2.29
Rot. Bonds5

About 2-[2-(2-cyclopropyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

2-[2-(2-cyclopropyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (PubChem CID 90258167) has the molecular formula C20H21N7O2 and a molecular weight of 391.44 g/mol. Its IUPAC name is 2-[2-(2-cyclopropyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.

Molecular Properties

Compound Name2-[2-(2-cyclopropyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
PubChem CID90258167
Molecular FormulaC20H21N7O2
Molecular Weight391.44 g/mol
Exact Mass391.18
IUPAC Name2-[2-(2-cyclopropyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCOc1cccc2c1nc(N)n1nc(CCN3Cc4nc(C5CC5)oc4C3)nc21
InChIInChI=1S/C20H21N7O2/c1-28-14-4-2-3-12-17(14)24-20(21)27-18(12)23-16(25-27)7-8-26-9-13-15(10-26)29-19(22-13)11-5-6-11/h2-4,11H,5-10H2,1H3,(H2,21,24)
InChIKeyFADASXSDYBZQQS-UHFFFAOYSA-N
XLogP2.29
TPSA107.60 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[2-(2-cyclopropyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine 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-[2-(2-cyclopropyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The IUPAC name of 2-[2-(2-cyclopropyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (CID 90258167) is 2-[2-(2-cyclopropyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.
What is the SMILES notation for 2-[2-(2-cyclopropyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The canonical SMILES for 2-[2-(2-cyclopropyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is COc1cccc2c1nc(N)n1nc(CCN3Cc4nc(C5CC5)oc4C3)nc21.
What is the InChIKey of 2-[2-(2-cyclopropyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The InChIKey is FADASXSDYBZQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O2/c1-28-14-4-2-3-12-17(14)24-20(21)27-18(12)23-16(25-27)7-8-26-9-13-15(10-26)29-19(22-13)11-5-6-11/h2-4,11H,5-10H2,1H3,(H2,21,24).
What are the key properties of 2-[2-(2-cyclopropyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
2-[2-(2-cyclopropyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine has a molecular weight of 391.44 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-cyclopropyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is sourced from PubChem (CID 90258167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).