phenyl-[(6R)-6-phenylmethoxy-1,4-oxazepan-4-yl]methanone

C19H21NO3 — CID 75367813

IUPACphenyl-[(6R)-6-phenylmethoxy-1,4-oxazepan-4-yl]methanone
SMILESO=C(c1ccccc1)N1CCOC[C@H](OCc2ccccc2)C1
InChIInChI=1S/C19H21NO3/c21-19(17-9-5-2-6-10-17)20-11-12-22-15-18(13-20)23-14-16-7-3-1-4-8-16/h1-10,18H,11-15H2/t18-/m1/s1
InChIKeyORBGZZKGSLRGQC-GOSISDBHSA-N
MW311.38 g/mol
LogP2.74
Rot. Bonds4

About phenyl-[(6R)-6-phenylmethoxy-1,4-oxazepan-4-yl]methanone

phenyl-[(6R)-6-phenylmethoxy-1,4-oxazepan-4-yl]methanone (PubChem CID 75367813) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is phenyl-[(6R)-6-phenylmethoxy-1,4-oxazepan-4-yl]methanone.

Molecular Properties

Compound Namephenyl-[(6R)-6-phenylmethoxy-1,4-oxazepan-4-yl]methanone
PubChem CID75367813
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Namephenyl-[(6R)-6-phenylmethoxy-1,4-oxazepan-4-yl]methanone
SMILESO=C(c1ccccc1)N1CCOC[C@H](OCc2ccccc2)C1
InChIInChI=1S/C19H21NO3/c21-19(17-9-5-2-6-10-17)20-11-12-22-15-18(13-20)23-14-16-7-3-1-4-8-16/h1-10,18H,11-15H2/t18-/m1/s1
InChIKeyORBGZZKGSLRGQC-GOSISDBHSA-N
XLogP2.74
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-oxolan-3-yl]-(4-phenylmethoxypiperidin-1-yl)methanone
CID 95272421
benzyl (6R,7R)-6,7-dihydroxy-1,4-oxazocane-4-carboxylate
CID 122547436
(4-aminophenyl)-(4-phenylmethoxypiperidin-1-yl)methanone
CID 119697040
[4-(diethylamino)phenyl]-(3-phenylmethoxyazetidin-1-yl)methanone
CID 118786113
3-azabicyclo[3.2.2]nonan-3-yl-[4-(3-phenylmethoxypyrrolidin-1-yl)phenyl]methanone
CID 24957914
4-(4-fluorophenyl)sulfonyl-6-phenylmethoxy-1,4-oxazepane
CID 162795674
(6-methoxy-1,4-oxazepan-4-yl)-(3-methoxyphenyl)methanone
CID 162818233
(4-phenylmethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-pyridin-4-ylmethanone
CID 91918097
[4-(aminomethyl)phenyl]-(4-phenylmethoxypiperidin-1-yl)methanone;hydrochloride
CID 119275315
4-(naphthalen-1-ylmethyl)-6-phenylmethoxy-1,4-oxazepane
CID 156549737
1,2-oxazol-3-yl-(3-phenylmethoxypyrrolidin-1-yl)methanone
CID 167761394
benzyl 3-phenylmethoxyazetidine-1-carboxylate;ethane
CID 143474656

Frequently Asked Questions

What is the IUPAC name of phenyl-[(6R)-6-phenylmethoxy-1,4-oxazepan-4-yl]methanone?
The IUPAC name of phenyl-[(6R)-6-phenylmethoxy-1,4-oxazepan-4-yl]methanone (CID 75367813) is phenyl-[(6R)-6-phenylmethoxy-1,4-oxazepan-4-yl]methanone.
What is the SMILES notation for phenyl-[(6R)-6-phenylmethoxy-1,4-oxazepan-4-yl]methanone?
The canonical SMILES for phenyl-[(6R)-6-phenylmethoxy-1,4-oxazepan-4-yl]methanone is O=C(c1ccccc1)N1CCOC[C@H](OCc2ccccc2)C1.
What is the InChIKey of phenyl-[(6R)-6-phenylmethoxy-1,4-oxazepan-4-yl]methanone?
The InChIKey is ORBGZZKGSLRGQC-GOSISDBHSA-N. The full InChI is InChI=1S/C19H21NO3/c21-19(17-9-5-2-6-10-17)20-11-12-22-15-18(13-20)23-14-16-7-3-1-4-8-16/h1-10,18H,11-15H2/t18-/m1/s1.
What are the key properties of phenyl-[(6R)-6-phenylmethoxy-1,4-oxazepan-4-yl]methanone?
phenyl-[(6R)-6-phenylmethoxy-1,4-oxazepan-4-yl]methanone has a molecular weight of 311.38 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[(6R)-6-phenylmethoxy-1,4-oxazepan-4-yl]methanone is sourced from PubChem (CID 75367813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).