3-(2-hydroxyphenyl)-N-(3-morpholin-4-ylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C17H23N3O4 — CID 2962270

IUPAC3-(2-hydroxyphenyl)-N-(3-morpholin-4-ylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NCCCN1CCOCC1)C1CC(c2ccccc2O)=NO1
InChIInChI=1S/C17H23N3O4/c21-15-5-2-1-4-13(15)14-12-16(24-19-14)17(22)18-6-3-7-20-8-10-23-11-9-20/h1-2,4-5,16,21H,3,6-12H2,(H,18,22)
InChIKeyWNLQHUGEEQTITO-UHFFFAOYSA-N
MW333.39 g/mol
LogP0.72
Rot. Bonds6

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

3-(2-hydroxyphenyl)-N-(3-morpholin-4-ylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 2962270) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is 3-(2-hydroxyphenyl)-N-(3-morpholin-4-ylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-hydroxyphenyl)-N-(3-morpholin-4-ylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID2962270
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Name3-(2-hydroxyphenyl)-N-(3-morpholin-4-ylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NCCCN1CCOCC1)C1CC(c2ccccc2O)=NO1
InChIInChI=1S/C17H23N3O4/c21-15-5-2-1-4-13(15)14-12-16(24-19-14)17(22)18-6-3-7-20-8-10-23-11-9-20/h1-2,4-5,16,21H,3,6-12H2,(H,18,22)
InChIKeyWNLQHUGEEQTITO-UHFFFAOYSA-N
XLogP0.72
TPSA83.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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
(5R)-3-(2-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 92666644
(5S)-3-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 28855236
(5R)-3-(2-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 92734588
3-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 3244224
(5R)-3-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 92666636
(5R)-3-(2-hydroxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 135829518
(5R)-N-(furan-2-ylmethyl)-3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 1302290
(5R)-3-(2-hydroxyphenyl)-N-(thiophen-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 1302303
[3-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 135881511
1-[3-(1,3-dioxoisoindol-2-yl)propyl]-3-(3-morpholin-4-ylpropyl)urea
CID 108889443
3-(2-hydroxyphenyl)-N-(1-propylpyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 136962145

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyphenyl)-N-(3-morpholin-4-ylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(2-hydroxyphenyl)-N-(3-morpholin-4-ylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 2962270) is 3-(2-hydroxyphenyl)-N-(3-morpholin-4-ylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(2-hydroxyphenyl)-N-(3-morpholin-4-ylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(2-hydroxyphenyl)-N-(3-morpholin-4-ylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is O=C(NCCCN1CCOCC1)C1CC(c2ccccc2O)=NO1.
What is the InChIKey of 3-(2-hydroxyphenyl)-N-(3-morpholin-4-ylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is WNLQHUGEEQTITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c21-15-5-2-1-4-13(15)14-12-16(24-19-14)17(22)18-6-3-7-20-8-10-23-11-9-20/h1-2,4-5,16,21H,3,6-12H2,(H,18,22).
What are the key properties of 3-(2-hydroxyphenyl)-N-(3-morpholin-4-ylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(2-hydroxyphenyl)-N-(3-morpholin-4-ylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 0.72, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyphenyl)-N-(3-morpholin-4-ylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 2962270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).