1-[[(6R)-1,4-oxazepan-6-yl]methyl]-3-(2-phenoxyphenyl)urea

C19H23N3O3 — CID 95715396

IUPAC1-[[(6R)-1,4-oxazepan-6-yl]methyl]-3-(2-phenoxyphenyl)urea
SMILESO=C(NC[C@H]1CNCCOC1)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C19H23N3O3/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)/t15-/m1/s1
InChIKeyYBEADYHNJJFYKV-OAHLLOKOSA-N
MW341.41 g/mol
LogP2.84
Rot. Bonds5

About 1-[[(6R)-1,4-oxazepan-6-yl]methyl]-3-(2-phenoxyphenyl)urea

1-[[(6R)-1,4-oxazepan-6-yl]methyl]-3-(2-phenoxyphenyl)urea (PubChem CID 95715396) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-[[(6R)-1,4-oxazepan-6-yl]methyl]-3-(2-phenoxyphenyl)urea.

Molecular Properties

Compound Name1-[[(6R)-1,4-oxazepan-6-yl]methyl]-3-(2-phenoxyphenyl)urea
PubChem CID95715396
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name1-[[(6R)-1,4-oxazepan-6-yl]methyl]-3-(2-phenoxyphenyl)urea
SMILESO=C(NC[C@H]1CNCCOC1)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C19H23N3O3/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)/t15-/m1/s1
InChIKeyYBEADYHNJJFYKV-OAHLLOKOSA-N
XLogP2.84
TPSA71.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,4-oxazepan-6-ylmethyl)-3-(2-phenoxyphenyl)urea;hydrochloride
CID 154886800
1-(2-chlorophenyl)-3-(1,4-oxazepan-6-ylmethyl)urea
CID 56885160
1-[(2-methylphenyl)methyl]-3-[[(6R)-1,4-oxazepan-6-yl]methyl]urea
CID 95729791
1-[(2-methylphenyl)methyl]-3-(1,4-oxazepan-6-ylmethyl)urea
CID 56917216
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-[[(6R)-1,4-oxazepan-6-yl]methyl]-3-(2-phenoxyphenyl)urea?
The IUPAC name of 1-[[(6R)-1,4-oxazepan-6-yl]methyl]-3-(2-phenoxyphenyl)urea (CID 95715396) is 1-[[(6R)-1,4-oxazepan-6-yl]methyl]-3-(2-phenoxyphenyl)urea.
What is the SMILES notation for 1-[[(6R)-1,4-oxazepan-6-yl]methyl]-3-(2-phenoxyphenyl)urea?
The canonical SMILES for 1-[[(6R)-1,4-oxazepan-6-yl]methyl]-3-(2-phenoxyphenyl)urea is O=C(NC[C@H]1CNCCOC1)Nc1ccccc1Oc1ccccc1.
What is the InChIKey of 1-[[(6R)-1,4-oxazepan-6-yl]methyl]-3-(2-phenoxyphenyl)urea?
The InChIKey is YBEADYHNJJFYKV-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H23N3O3/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)/t15-/m1/s1.
What are the key properties of 1-[[(6R)-1,4-oxazepan-6-yl]methyl]-3-(2-phenoxyphenyl)urea?
1-[[(6R)-1,4-oxazepan-6-yl]methyl]-3-(2-phenoxyphenyl)urea has a molecular weight of 341.41 g/mol, XLogP of 2.84, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(6R)-1,4-oxazepan-6-yl]methyl]-3-(2-phenoxyphenyl)urea is sourced from PubChem (CID 95715396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).