1-methyl-3-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)urea

C19H22N4O4 — CID 72889321

IUPAC1-methyl-3-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)urea
SMILESCN(Cc1noc2c1CCCC2)C(=O)Nc1ccccc1N1CCOC1=O
InChIInChI=1S/C19H22N4O4/c1-22(12-15-13-6-2-5-9-17(13)27-21-15)18(24)20-14-7-3-4-8-16(14)23-10-11-26-19(23)25/h3-4,7-8H,2,5-6,9-12H2,1H3,(H,20,24)
InChIKeyWOZSHQOQPYDUHU-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.17
Rot. Bonds4

About 1-methyl-3-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)urea

1-methyl-3-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)urea (PubChem CID 72889321) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is 1-methyl-3-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)urea.

Molecular Properties

Compound Name1-methyl-3-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)urea
PubChem CID72889321
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Name1-methyl-3-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)urea
SMILESCN(Cc1noc2c1CCCC2)C(=O)Nc1ccccc1N1CCOC1=O
InChIInChI=1S/C19H22N4O4/c1-22(12-15-13-6-2-5-9-17(13)27-21-15)18(24)20-14-7-3-4-8-16(14)23-10-11-26-19(23)25/h3-4,7-8H,2,5-6,9-12H2,1H3,(H,20,24)
InChIKeyWOZSHQOQPYDUHU-UHFFFAOYSA-N
XLogP3.17
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-methyl-3-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)urea 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 1-methyl-3-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)urea?
The IUPAC name of 1-methyl-3-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)urea (CID 72889321) is 1-methyl-3-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)urea.
What is the SMILES notation for 1-methyl-3-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)urea?
The canonical SMILES for 1-methyl-3-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)urea is CN(Cc1noc2c1CCCC2)C(=O)Nc1ccccc1N1CCOC1=O.
What is the InChIKey of 1-methyl-3-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)urea?
The InChIKey is WOZSHQOQPYDUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-22(12-15-13-6-2-5-9-17(13)27-21-15)18(24)20-14-7-3-4-8-16(14)23-10-11-26-19(23)25/h3-4,7-8H,2,5-6,9-12H2,1H3,(H,20,24).
What are the key properties of 1-methyl-3-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)urea?
1-methyl-3-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)urea has a molecular weight of 370.41 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)urea is sourced from PubChem (CID 72889321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).