(2S)-2-[3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride

C17H19ClN4O4 — CID 120837076

IUPAC(2S)-2-[3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride
SMILESCOc1ccc(-c2nc(Cc3noc([C@@H]4CNCCO4)n3)co2)cc1.Cl
InChIInChI=1S/C17H18N4O4.ClH/c1-22-13-4-2-11(3-5-13)16-19-12(10-24-16)8-15-20-17(25-21-15)14-9-18-6-7-23-14;/h2-5,10,14,18H,6-9H2,1H3;1H/t14-;/m0./s1
InChIKeyNBNXTEKBDGHLFP-UQKRIMTDSA-N
MW378.82 g/mol
LogP2.41
Rot. Bonds5

About (2S)-2-[3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride

(2S)-2-[3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride (PubChem CID 120837076) has the molecular formula C17H19ClN4O4 and a molecular weight of 378.82 g/mol. Its IUPAC name is (2S)-2-[3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride.

Molecular Properties

Compound Name(2S)-2-[3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride
PubChem CID120837076
Molecular FormulaC17H19ClN4O4
Molecular Weight378.82 g/mol
Exact Mass378.11
IUPAC Name(2S)-2-[3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride
SMILESCOc1ccc(-c2nc(Cc3noc([C@@H]4CNCCO4)n3)co2)cc1.Cl
InChIInChI=1S/C17H18N4O4.ClH/c1-22-13-4-2-11(3-5-13)16-19-12(10-24-16)8-15-20-17(25-21-15)14-9-18-6-7-23-14;/h2-5,10,14,18H,6-9H2,1H3;1H/t14-;/m0./s1
InChIKeyNBNXTEKBDGHLFP-UQKRIMTDSA-N
XLogP2.41
TPSA95.44 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.82
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole
CID 120837019
(2R)-2-[3-[(3-methoxyphenyl)methoxymethyl]-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride
CID 120838949
(2S)-2-[3-[(3-methoxyphenyl)methoxymethyl]-1,2,4-oxadiazol-5-yl]morpholine
CID 120838954
(2S)-2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride
CID 120836385
(2R)-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]morpholine
CID 120834209
3-[(4-methoxyphenyl)methyl]-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole;hydrochloride
CID 120838644
(2S)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]morpholine
CID 120833777
(2S)-2-[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride
CID 120893635
N-(4-methylphenyl)-2-[5-[(2R)-morpholin-2-yl]-1,2,4-oxadiazol-3-yl]acetamide
CID 120835397
[4-[3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1,2,4-oxadiazol-5-yl]phenyl]-morpholin-4-ylmethanone
CID 166253912
5-(4-methoxyphenyl)-3-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole;hydrochloride
CID 146064496
5-[(3S)-1-methylpyrrolidin-3-yl]-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]-1,2,4-oxadiazole
CID 166300400

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride?
The IUPAC name of (2S)-2-[3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride (CID 120837076) is (2S)-2-[3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride.
What is the SMILES notation for (2S)-2-[3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride?
The canonical SMILES for (2S)-2-[3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride is COc1ccc(-c2nc(Cc3noc([C@@H]4CNCCO4)n3)co2)cc1.Cl.
What is the InChIKey of (2S)-2-[3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride?
The InChIKey is NBNXTEKBDGHLFP-UQKRIMTDSA-N. The full InChI is InChI=1S/C17H18N4O4.ClH/c1-22-13-4-2-11(3-5-13)16-19-12(10-24-16)8-15-20-17(25-21-15)14-9-18-6-7-23-14;/h2-5,10,14,18H,6-9H2,1H3;1H/t14-;/m0./s1.
What are the key properties of (2S)-2-[3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride?
(2S)-2-[3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride has a molecular weight of 378.82 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride is sourced from PubChem (CID 120837076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).