(2R)-1-[2-methoxy-4-(1,4-oxazepan-4-ylmethyl)phenoxy]-3-morpholin-4-ylpropan-2-ol

C20H32N2O5 — CID 97269962

IUPAC(2R)-1-[2-methoxy-4-(1,4-oxazepan-4-ylmethyl)phenoxy]-3-morpholin-4-ylpropan-2-ol
SMILESCOc1cc(CN2CCCOCC2)ccc1OC[C@H](O)CN1CCOCC1
InChIInChI=1S/C20H32N2O5/c1-24-20-13-17(14-21-5-2-9-25-10-6-21)3-4-19(20)27-16-18(23)15-22-7-11-26-12-8-22/h3-4,13,18,23H,2,5-12,14-16H2,1H3/t18-/m1/s1
InChIKeyDQOFJQWQPABZAK-GOSISDBHSA-N
MW380.49 g/mol
LogP0.99
Rot. Bonds8

About (2R)-1-[2-methoxy-4-(1,4-oxazepan-4-ylmethyl)phenoxy]-3-morpholin-4-ylpropan-2-ol

(2R)-1-[2-methoxy-4-(1,4-oxazepan-4-ylmethyl)phenoxy]-3-morpholin-4-ylpropan-2-ol (PubChem CID 97269962) has the molecular formula C20H32N2O5 and a molecular weight of 380.49 g/mol. Its IUPAC name is (2R)-1-[2-methoxy-4-(1,4-oxazepan-4-ylmethyl)phenoxy]-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[2-methoxy-4-(1,4-oxazepan-4-ylmethyl)phenoxy]-3-morpholin-4-ylpropan-2-ol
PubChem CID97269962
Molecular FormulaC20H32N2O5
Molecular Weight380.49 g/mol
Exact Mass380.23
IUPAC Name(2R)-1-[2-methoxy-4-(1,4-oxazepan-4-ylmethyl)phenoxy]-3-morpholin-4-ylpropan-2-ol
SMILESCOc1cc(CN2CCCOCC2)ccc1OC[C@H](O)CN1CCOCC1
InChIInChI=1S/C20H32N2O5/c1-24-20-13-17(14-21-5-2-9-25-10-6-21)3-4-19(20)27-16-18(23)15-22-7-11-26-12-8-22/h3-4,13,18,23H,2,5-12,14-16H2,1H3/t18-/m1/s1
InChIKeyDQOFJQWQPABZAK-GOSISDBHSA-N
XLogP0.99
TPSA63.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2R)-1-[2-methoxy-4-(1,4-oxazepan-4-ylmethyl)phenoxy]-3-morpholin-4-ylpropan-2-ol with MolForge

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Related Compounds

(2S)-1-[2-methoxy-4-(1,4-oxazepan-4-ylmethyl)phenoxy]-3-thiomorpholin-4-ylpropan-2-ol
CID 97284756
1-[2-methoxy-4-(1,2-oxazolidin-2-ylmethyl)phenoxy]-3-(1,4-oxazepan-4-yl)propan-2-ol
CID 176504622
(2S)-1-[2-methoxy-4-(morpholin-4-ylmethyl)phenoxy]-3-thiomorpholin-4-ylpropan-2-ol
CID 97280044
1-[2-methoxy-4-[(4-methylpiperidin-1-yl)methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 72853462
1-[(2S)-2-hydroxy-3-[2-methoxy-4-(morpholin-4-ylmethyl)phenoxy]propyl]piperidin-4-ol
CID 97277352
1-[4-[(2,2-dimethylpyrrolidin-1-yl)methyl]-2-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol
CID 72939166
1-(azepan-1-yl)-3-[2-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenoxy]propan-2-ol
CID 45179895
1-(diethylamino)-3-[2-methoxy-5-(1,4-oxazepan-4-ylmethyl)phenoxy]propan-2-ol
CID 72916690
1-[4-(4-azaspiro[2.5]octan-4-ylmethyl)-2-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol
CID 72933855
1-[4-(ethylaminomethyl)-2-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol
CID 45240559
1-[(2S)-3-[4-(azepan-1-ylmethyl)-2-methoxyphenoxy]-2-hydroxypropyl]piperidin-4-ol
CID 97276509
1-[[4-[3-(azepan-1-yl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl]piperidin-4-ol
CID 72870007

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-methoxy-4-(1,4-oxazepan-4-ylmethyl)phenoxy]-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of (2R)-1-[2-methoxy-4-(1,4-oxazepan-4-ylmethyl)phenoxy]-3-morpholin-4-ylpropan-2-ol (CID 97269962) is (2R)-1-[2-methoxy-4-(1,4-oxazepan-4-ylmethyl)phenoxy]-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for (2R)-1-[2-methoxy-4-(1,4-oxazepan-4-ylmethyl)phenoxy]-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for (2R)-1-[2-methoxy-4-(1,4-oxazepan-4-ylmethyl)phenoxy]-3-morpholin-4-ylpropan-2-ol is COc1cc(CN2CCCOCC2)ccc1OC[C@H](O)CN1CCOCC1.
What is the InChIKey of (2R)-1-[2-methoxy-4-(1,4-oxazepan-4-ylmethyl)phenoxy]-3-morpholin-4-ylpropan-2-ol?
The InChIKey is DQOFJQWQPABZAK-GOSISDBHSA-N. The full InChI is InChI=1S/C20H32N2O5/c1-24-20-13-17(14-21-5-2-9-25-10-6-21)3-4-19(20)27-16-18(23)15-22-7-11-26-12-8-22/h3-4,13,18,23H,2,5-12,14-16H2,1H3/t18-/m1/s1.
What are the key properties of (2R)-1-[2-methoxy-4-(1,4-oxazepan-4-ylmethyl)phenoxy]-3-morpholin-4-ylpropan-2-ol?
(2R)-1-[2-methoxy-4-(1,4-oxazepan-4-ylmethyl)phenoxy]-3-morpholin-4-ylpropan-2-ol has a molecular weight of 380.49 g/mol, XLogP of 0.99, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-methoxy-4-(1,4-oxazepan-4-ylmethyl)phenoxy]-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 97269962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).