(5R)-3-(2-hydroxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C16H22N3O4+ — CID 135829518

IUPAC(5R)-3-(2-hydroxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NCC[NH+]1CCOCC1)[C@H]1CC(c2ccccc2O)=NO1
InChIInChI=1S/C16H21N3O4/c20-14-4-2-1-3-12(14)13-11-15(23-18-13)16(21)17-5-6-19-7-9-22-10-8-19/h1-4,15,20H,5-11H2,(H,17,21)/p+1/t15-/m1/s1
InChIKeyGTIIMKKOPYMICJ-OAHLLOKOSA-O
MW320.37 g/mol
LogP-1.08
Rot. Bonds5

About (5R)-3-(2-hydroxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

(5R)-3-(2-hydroxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 135829518) has the molecular formula C16H22N3O4+ and a molecular weight of 320.37 g/mol. Its IUPAC name is (5R)-3-(2-hydroxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5R)-3-(2-hydroxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID135829518
Molecular FormulaC16H22N3O4+
Molecular Weight320.37 g/mol
Exact Mass320.16
IUPAC Name(5R)-3-(2-hydroxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NCC[NH+]1CCOCC1)[C@H]1CC(c2ccccc2O)=NO1
InChIInChI=1S/C16H21N3O4/c20-14-4-2-1-3-12(14)13-11-15(23-18-13)16(21)17-5-6-19-7-9-22-10-8-19/h1-4,15,20H,5-11H2,(H,17,21)/p+1/t15-/m1/s1
InChIKeyGTIIMKKOPYMICJ-OAHLLOKOSA-O
XLogP-1.08
TPSA84.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 5-1.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(5R)-3-(2-hydroxyphenyl)-N-(2-morpholin-4-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 135829519
3-(2-hydroxyphenyl)-N-(3-morpholin-4-ylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 2962270
(5R)-3-(2-hydroxyphenyl)-N-(thiophen-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 1302303
(5R)-N-(furan-2-ylmethyl)-3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 1302290
(5S)-3-(5-chloro-2,4-dimethoxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 7373745
(3R)-N-(2-morpholin-4-ium-4-ylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 7242232
(5S)-N-[(2S)-butan-2-yl]-3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 135829531
(5R)-3-(2-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 92666644
(5R)-3-(2-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 92734588
N-butyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 17095813
(5S)-3-(2-hydroxyphenyl)-N-[(2R)-1-methoxypropan-2-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 1093706
3-(2-hydroxyphenyl)-N-(1-methoxypropan-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 3158148

Frequently Asked Questions

What is the IUPAC name of (5R)-3-(2-hydroxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of (5R)-3-(2-hydroxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 135829518) is (5R)-3-(2-hydroxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5R)-3-(2-hydroxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5R)-3-(2-hydroxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is O=C(NCC[NH+]1CCOCC1)[C@H]1CC(c2ccccc2O)=NO1.
What is the InChIKey of (5R)-3-(2-hydroxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is GTIIMKKOPYMICJ-OAHLLOKOSA-O. The full InChI is InChI=1S/C16H21N3O4/c20-14-4-2-1-3-12(14)13-11-15(23-18-13)16(21)17-5-6-19-7-9-22-10-8-19/h1-4,15,20H,5-11H2,(H,17,21)/p+1/t15-/m1/s1.
What are the key properties of (5R)-3-(2-hydroxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
(5R)-3-(2-hydroxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 320.37 g/mol, XLogP of -1.08, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(2-hydroxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 135829518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).