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

C20H25N3O3 — CID 134805890

IUPAC[6-[(2-methylphenyl)methyl]-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-yl]-morpholin-4-ylmethanone
SMILESCc1ccccc1CN1CCc2nc(C(=O)N3CCOCC3)oc2CC1
InChIInChI=1S/C20H25N3O3/c1-15-4-2-3-5-16(15)14-22-8-6-17-18(7-9-22)26-19(21-17)20(24)23-10-12-25-13-11-23/h2-5H,6-14H2,1H3
InChIKeyWZFNBHGRIPYFRT-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.06
Rot. Bonds3

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

[6-[(2-methylphenyl)methyl]-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-yl]-morpholin-4-ylmethanone (PubChem CID 134805890) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is [6-[(2-methylphenyl)methyl]-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[6-[(2-methylphenyl)methyl]-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-yl]-morpholin-4-ylmethanone
PubChem CID134805890
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name[6-[(2-methylphenyl)methyl]-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-yl]-morpholin-4-ylmethanone
SMILESCc1ccccc1CN1CCc2nc(C(=O)N3CCOCC3)oc2CC1
InChIInChI=1S/C20H25N3O3/c1-15-4-2-3-5-16(15)14-22-8-6-17-18(7-9-22)26-19(21-17)20(24)23-10-12-25-13-11-23/h2-5H,6-14H2,1H3
InChIKeyWZFNBHGRIPYFRT-UHFFFAOYSA-N
XLogP2.06
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [6-[(2-methylphenyl)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-[(2-methylphenyl)methyl]-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [6-[(2-methylphenyl)methyl]-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-yl]-morpholin-4-ylmethanone (CID 134805890) is [6-[(2-methylphenyl)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-[(2-methylphenyl)methyl]-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [6-[(2-methylphenyl)methyl]-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-yl]-morpholin-4-ylmethanone is Cc1ccccc1CN1CCc2nc(C(=O)N3CCOCC3)oc2CC1.
What is the InChIKey of [6-[(2-methylphenyl)methyl]-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is WZFNBHGRIPYFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-15-4-2-3-5-16(15)14-22-8-6-17-18(7-9-22)26-19(21-17)20(24)23-10-12-25-13-11-23/h2-5H,6-14H2,1H3.
What are the key properties of [6-[(2-methylphenyl)methyl]-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-yl]-morpholin-4-ylmethanone?
[6-[(2-methylphenyl)methyl]-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 355.44 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(2-methylphenyl)methyl]-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 134805890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).