1-(1,4-oxazepan-6-ylmethyl)-3-(2-phenoxyphenyl)urea;hydrochloride

C19H24ClN3O3 — CID 154886800

IUPAC1-(1,4-oxazepan-6-ylmethyl)-3-(2-phenoxyphenyl)urea;hydrochloride
SMILESCl.O=C(NCC1CNCCOC1)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C19H23N3O3.ClH/c23-19(21-13-15-12-20-10-11-24-14-15)22-17-8-4-5-9-18(17)25-16-6-2-1-3-7-16;/h1-9,15,20H,10-14H2,(H2,21,22,23);1H
InChIKeyXMGWNINJVIXQMS-UHFFFAOYSA-N
MW377.87 g/mol
LogP3.26
Rot. Bonds5

About 1-(1,4-oxazepan-6-ylmethyl)-3-(2-phenoxyphenyl)urea;hydrochloride

1-(1,4-oxazepan-6-ylmethyl)-3-(2-phenoxyphenyl)urea;hydrochloride (PubChem CID 154886800) has the molecular formula C19H24ClN3O3 and a molecular weight of 377.87 g/mol. Its IUPAC name is 1-(1,4-oxazepan-6-ylmethyl)-3-(2-phenoxyphenyl)urea;hydrochloride.

Molecular Properties

Compound Name1-(1,4-oxazepan-6-ylmethyl)-3-(2-phenoxyphenyl)urea;hydrochloride
PubChem CID154886800
Molecular FormulaC19H24ClN3O3
Molecular Weight377.87 g/mol
Exact Mass377.15
IUPAC Name1-(1,4-oxazepan-6-ylmethyl)-3-(2-phenoxyphenyl)urea;hydrochloride
SMILESCl.O=C(NCC1CNCCOC1)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C19H23N3O3.ClH/c23-19(21-13-15-12-20-10-11-24-14-15)22-17-8-4-5-9-18(17)25-16-6-2-1-3-7-16;/h1-9,15,20H,10-14H2,(H2,21,22,23);1H
InChIKeyXMGWNINJVIXQMS-UHFFFAOYSA-N
XLogP3.26
TPSA71.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.87
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-(1,4-oxazepan-6-ylmethyl)-3-(2-phenoxyphenyl)urea;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[(6R)-1,4-oxazepan-6-yl]methyl]-3-(2-phenoxyphenyl)urea
CID 95715396
1-(2-chlorophenyl)-3-(1,4-oxazepan-6-ylmethyl)urea
CID 56885160
1-[(2-methylphenyl)methyl]-3-(1,4-oxazepan-6-ylmethyl)urea
CID 56917216
1-[(2-methylphenyl)methyl]-3-[[(6R)-1,4-oxazepan-6-yl]methyl]urea
CID 95729791
benzyl N-(1,4-oxazepan-6-ylmethyl)carbamate
CID 130114802
1-(2-hydroxyphenyl)-3-(pyrrolidin-3-ylmethyl)urea
CID 117235769
1-[[(2R)-1,4-dioxan-2-yl]methyl]-3-[2-(2-phenoxyethoxy)phenyl]urea
CID 125167190
1-(methoxymethyl)-3-(2-phenoxyphenyl)urea
CID 110676062
1-(2-ethoxyphenyl)-3-(oxan-4-ylmethyl)urea
CID 108912943
1-butyl-3-(2-phenoxyphenyl)urea
CID 604054
1-[[(6S)-1,4-oxazepan-6-yl]methyl]-3-(2,4,4-trimethylpentan-2-yl)urea
CID 95721190
1-[[(6R)-1,4-oxazepan-6-yl]methyl]-3-(2,4,4-trimethylpentan-2-yl)urea
CID 95721192

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-oxazepan-6-ylmethyl)-3-(2-phenoxyphenyl)urea;hydrochloride?
The IUPAC name of 1-(1,4-oxazepan-6-ylmethyl)-3-(2-phenoxyphenyl)urea;hydrochloride (CID 154886800) is 1-(1,4-oxazepan-6-ylmethyl)-3-(2-phenoxyphenyl)urea;hydrochloride.
What is the SMILES notation for 1-(1,4-oxazepan-6-ylmethyl)-3-(2-phenoxyphenyl)urea;hydrochloride?
The canonical SMILES for 1-(1,4-oxazepan-6-ylmethyl)-3-(2-phenoxyphenyl)urea;hydrochloride is Cl.O=C(NCC1CNCCOC1)Nc1ccccc1Oc1ccccc1.
What is the InChIKey of 1-(1,4-oxazepan-6-ylmethyl)-3-(2-phenoxyphenyl)urea;hydrochloride?
The InChIKey is XMGWNINJVIXQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3.ClH/c23-19(21-13-15-12-20-10-11-24-14-15)22-17-8-4-5-9-18(17)25-16-6-2-1-3-7-16;/h1-9,15,20H,10-14H2,(H2,21,22,23);1H.
What are the key properties of 1-(1,4-oxazepan-6-ylmethyl)-3-(2-phenoxyphenyl)urea;hydrochloride?
1-(1,4-oxazepan-6-ylmethyl)-3-(2-phenoxyphenyl)urea;hydrochloride has a molecular weight of 377.87 g/mol, XLogP of 3.26, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-oxazepan-6-ylmethyl)-3-(2-phenoxyphenyl)urea;hydrochloride is sourced from PubChem (CID 154886800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).