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

C20H25N3O4 — CID 134806246

IUPAC[6-[(2-methoxyphenyl)methyl]-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-yl]-morpholin-4-ylmethanone
SMILESCOc1ccccc1CN1CCc2nc(C(=O)N3CCOCC3)oc2CC1
InChIInChI=1S/C20H25N3O4/c1-25-17-5-3-2-4-15(17)14-22-8-6-16-18(7-9-22)27-19(21-16)20(24)23-10-12-26-13-11-23/h2-5H,6-14H2,1H3
InChIKeySELRIEUDAIROHP-UHFFFAOYSA-N
MW371.44 g/mol
LogP1.76
Rot. Bonds4

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

[6-[(2-methoxyphenyl)methyl]-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-yl]-morpholin-4-ylmethanone (PubChem CID 134806246) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is [6-[(2-methoxyphenyl)methyl]-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[6-[(2-methoxyphenyl)methyl]-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-yl]-morpholin-4-ylmethanone
PubChem CID134806246
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name[6-[(2-methoxyphenyl)methyl]-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-yl]-morpholin-4-ylmethanone
SMILESCOc1ccccc1CN1CCc2nc(C(=O)N3CCOCC3)oc2CC1
InChIInChI=1S/C20H25N3O4/c1-25-17-5-3-2-4-15(17)14-22-8-6-16-18(7-9-22)27-19(21-16)20(24)23-10-12-26-13-11-23/h2-5H,6-14H2,1H3
InChIKeySELRIEUDAIROHP-UHFFFAOYSA-N
XLogP1.76
TPSA68.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [6-[(2-methoxyphenyl)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-methoxyphenyl)methyl]-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [6-[(2-methoxyphenyl)methyl]-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-yl]-morpholin-4-ylmethanone (CID 134806246) is [6-[(2-methoxyphenyl)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-methoxyphenyl)methyl]-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [6-[(2-methoxyphenyl)methyl]-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-yl]-morpholin-4-ylmethanone is COc1ccccc1CN1CCc2nc(C(=O)N3CCOCC3)oc2CC1.
What is the InChIKey of [6-[(2-methoxyphenyl)methyl]-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is SELRIEUDAIROHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-25-17-5-3-2-4-15(17)14-22-8-6-16-18(7-9-22)27-19(21-16)20(24)23-10-12-26-13-11-23/h2-5H,6-14H2,1H3.
What are the key properties of [6-[(2-methoxyphenyl)methyl]-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-yl]-morpholin-4-ylmethanone?
[6-[(2-methoxyphenyl)methyl]-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 371.44 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(2-methoxyphenyl)methyl]-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 134806246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).