[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-morpholin-4-ylmethanone

C19H22N4O4 — CID 42949457

IUPAC[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CN(Cc2nc(C3CC3)no2)c2ccccc2O1)N1CCOCC1
InChIInChI=1S/C19H22N4O4/c24-19(22-7-9-25-10-8-22)16-11-23(14-3-1-2-4-15(14)26-16)12-17-20-18(21-27-17)13-5-6-13/h1-4,13,16H,5-12H2
InChIKeyZQBXMRMGRRZVAH-UHFFFAOYSA-N
MW370.41 g/mol
LogP1.57
Rot. Bonds4

About [4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-morpholin-4-ylmethanone

[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-morpholin-4-ylmethanone (PubChem CID 42949457) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is [4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-morpholin-4-ylmethanone
PubChem CID42949457
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Name[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CN(Cc2nc(C3CC3)no2)c2ccccc2O1)N1CCOCC1
InChIInChI=1S/C19H22N4O4/c24-19(22-7-9-25-10-8-22)16-11-23(14-3-1-2-4-15(14)26-16)12-17-20-18(21-27-17)13-5-6-13/h1-4,13,16H,5-12H2
InChIKeyZQBXMRMGRRZVAH-UHFFFAOYSA-N
XLogP1.57
TPSA80.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-morpholin-4-ylmethanone 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 [4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-morpholin-4-ylmethanone (CID 42949457) is [4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-morpholin-4-ylmethanone is O=C(C1CN(Cc2nc(C3CC3)no2)c2ccccc2O1)N1CCOCC1.
What is the InChIKey of [4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is ZQBXMRMGRRZVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c24-19(22-7-9-25-10-8-22)16-11-23(14-3-1-2-4-15(14)26-16)12-17-20-18(21-27-17)13-5-6-13/h1-4,13,16H,5-12H2.
What are the key properties of [4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-morpholin-4-ylmethanone?
[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 370.41 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 42949457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).