[5-(1,3-benzoxazol-6-yl)-1,2-oxazol-3-yl]-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone

C22H19N3O4 — CID 146230188

IUPAC[5-(1,3-benzoxazol-6-yl)-1,2-oxazol-3-yl]-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
SMILESCOc1ccc(C2CCCN2C(=O)c2cc(-c3ccc4ncoc4c3)on2)cc1
InChIInChI=1S/C22H19N3O4/c1-27-16-7-4-14(5-8-16)19-3-2-10-25(19)22(26)18-12-20(29-24-18)15-6-9-17-21(11-15)28-13-23-17/h4-9,11-13,19H,2-3,10H2,1H3
InChIKeyPHWFXTAJHZRVDX-UHFFFAOYSA-N
MW389.41 g/mol
LogP4.47
Rot. Bonds4

About [5-(1,3-benzoxazol-6-yl)-1,2-oxazol-3-yl]-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone

[5-(1,3-benzoxazol-6-yl)-1,2-oxazol-3-yl]-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone (PubChem CID 146230188) has the molecular formula C22H19N3O4 and a molecular weight of 389.41 g/mol. Its IUPAC name is [5-(1,3-benzoxazol-6-yl)-1,2-oxazol-3-yl]-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(1,3-benzoxazol-6-yl)-1,2-oxazol-3-yl]-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
PubChem CID146230188
Molecular FormulaC22H19N3O4
Molecular Weight389.41 g/mol
Exact Mass389.14
IUPAC Name[5-(1,3-benzoxazol-6-yl)-1,2-oxazol-3-yl]-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
SMILESCOc1ccc(C2CCCN2C(=O)c2cc(-c3ccc4ncoc4c3)on2)cc1
InChIInChI=1S/C22H19N3O4/c1-27-16-7-4-14(5-8-16)19-3-2-10-25(19)22(26)18-12-20(29-24-18)15-6-9-17-21(11-15)28-13-23-17/h4-9,11-13,19H,2-3,10H2,1H3
InChIKeyPHWFXTAJHZRVDX-UHFFFAOYSA-N
XLogP4.47
TPSA81.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [5-(1,3-benzoxazol-6-yl)-1,2-oxazol-3-yl]-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone 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 [5-(1,3-benzoxazol-6-yl)-1,2-oxazol-3-yl]-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [5-(1,3-benzoxazol-6-yl)-1,2-oxazol-3-yl]-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone (CID 146230188) is [5-(1,3-benzoxazol-6-yl)-1,2-oxazol-3-yl]-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [5-(1,3-benzoxazol-6-yl)-1,2-oxazol-3-yl]-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [5-(1,3-benzoxazol-6-yl)-1,2-oxazol-3-yl]-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone is COc1ccc(C2CCCN2C(=O)c2cc(-c3ccc4ncoc4c3)on2)cc1.
What is the InChIKey of [5-(1,3-benzoxazol-6-yl)-1,2-oxazol-3-yl]-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone?
The InChIKey is PHWFXTAJHZRVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4/c1-27-16-7-4-14(5-8-16)19-3-2-10-25(19)22(26)18-12-20(29-24-18)15-6-9-17-21(11-15)28-13-23-17/h4-9,11-13,19H,2-3,10H2,1H3.
What are the key properties of [5-(1,3-benzoxazol-6-yl)-1,2-oxazol-3-yl]-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone?
[5-(1,3-benzoxazol-6-yl)-1,2-oxazol-3-yl]-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone has a molecular weight of 389.41 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1,3-benzoxazol-6-yl)-1,2-oxazol-3-yl]-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 146230188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).