[6-[(3-fluorophenyl)methyl]-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-yl]-morpholin-4-ylmethanone

C19H22FN3O3 — CID 134808597

IUPAC[6-[(3-fluorophenyl)methyl]-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-yl]-morpholin-4-ylmethanone
SMILESO=C(c1nc2c(o1)CCN(Cc1cccc(F)c1)CC2)N1CCOCC1
InChIInChI=1S/C19H22FN3O3/c20-15-3-1-2-14(12-15)13-22-6-4-16-17(5-7-22)26-18(21-16)19(24)23-8-10-25-11-9-23/h1-3,12H,4-11,13H2
InChIKeyGIJKXLWDEZQVLO-UHFFFAOYSA-N
MW359.40 g/mol
LogP1.89
Rot. Bonds3

About [6-[(3-fluorophenyl)methyl]-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-yl]-morpholin-4-ylmethanone

[6-[(3-fluorophenyl)methyl]-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-yl]-morpholin-4-ylmethanone (PubChem CID 134808597) has the molecular formula C19H22FN3O3 and a molecular weight of 359.40 g/mol. Its IUPAC name is [6-[(3-fluorophenyl)methyl]-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[6-[(3-fluorophenyl)methyl]-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-yl]-morpholin-4-ylmethanone
PubChem CID134808597
Molecular FormulaC19H22FN3O3
Molecular Weight359.40 g/mol
Exact Mass359.16
IUPAC Name[6-[(3-fluorophenyl)methyl]-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-yl]-morpholin-4-ylmethanone
SMILESO=C(c1nc2c(o1)CCN(Cc1cccc(F)c1)CC2)N1CCOCC1
InChIInChI=1S/C19H22FN3O3/c20-15-3-1-2-14(12-15)13-22-6-4-16-17(5-7-22)26-18(21-16)19(24)23-8-10-25-11-9-23/h1-3,12H,4-11,13H2
InChIKeyGIJKXLWDEZQVLO-UHFFFAOYSA-N
XLogP1.89
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [6-[(3-fluorophenyl)methyl]-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-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 [6-[(3-fluorophenyl)methyl]-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [6-[(3-fluorophenyl)methyl]-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-yl]-morpholin-4-ylmethanone (CID 134808597) is [6-[(3-fluorophenyl)methyl]-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [6-[(3-fluorophenyl)methyl]-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [6-[(3-fluorophenyl)methyl]-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-yl]-morpholin-4-ylmethanone is O=C(c1nc2c(o1)CCN(Cc1cccc(F)c1)CC2)N1CCOCC1.
What is the InChIKey of [6-[(3-fluorophenyl)methyl]-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is GIJKXLWDEZQVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3/c20-15-3-1-2-14(12-15)13-22-6-4-16-17(5-7-22)26-18(21-16)19(24)23-8-10-25-11-9-23/h1-3,12H,4-11,13H2.
What are the key properties of [6-[(3-fluorophenyl)methyl]-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-yl]-morpholin-4-ylmethanone?
[6-[(3-fluorophenyl)methyl]-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 359.40 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(3-fluorophenyl)methyl]-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 134808597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).