(2R)-N-[[(5S)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-pyridin-3-yloxypropanamide

C19H21N3O3 — CID 125141361

IUPAC(2R)-N-[[(5S)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-pyridin-3-yloxypropanamide
SMILESCc1ccc(C2=NO[C@H](CNC(=O)[C@@H](C)Oc3cccnc3)C2)cc1
InChIInChI=1S/C19H21N3O3/c1-13-5-7-15(8-6-13)18-10-17(25-22-18)12-21-19(23)14(2)24-16-4-3-9-20-11-16/h3-9,11,14,17H,10,12H2,1-2H3,(H,21,23)/t14-,17+/m1/s1
InChIKeyROHZDDJXSZAFLO-PBHICJAKSA-N
MW339.40 g/mol
LogP2.47
Rot. Bonds6

About (2R)-N-[[(5S)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-pyridin-3-yloxypropanamide

(2R)-N-[[(5S)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-pyridin-3-yloxypropanamide (PubChem CID 125141361) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is (2R)-N-[[(5S)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-pyridin-3-yloxypropanamide.

Molecular Properties

Compound Name(2R)-N-[[(5S)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-pyridin-3-yloxypropanamide
PubChem CID125141361
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name(2R)-N-[[(5S)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-pyridin-3-yloxypropanamide
SMILESCc1ccc(C2=NO[C@H](CNC(=O)[C@@H](C)Oc3cccnc3)C2)cc1
InChIInChI=1S/C19H21N3O3/c1-13-5-7-15(8-6-13)18-10-17(25-22-18)12-21-19(23)14(2)24-16-4-3-9-20-11-16/h3-9,11,14,17H,10,12H2,1-2H3,(H,21,23)/t14-,17+/m1/s1
InChIKeyROHZDDJXSZAFLO-PBHICJAKSA-N
XLogP2.47
TPSA72.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-N-[[(5S)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-pyridin-3-yloxypropanamide with MolForge

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Related Compounds

tert-butyl N-[[(5R)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]carbamate
CID 124709444
N-ethyl-2-pyridin-3-yloxypropanamide
CID 112691638
N-[2-(methylamino)ethyl]-2-pyridin-3-yloxypropanamide
CID 119503233
1-[(2R)-1-methoxybutan-2-yl]-3-[[(5S)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea
CID 124849146
N-methyl-1-[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine
CID 42789312
1-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-(2-pyrazol-1-ylethyl)urea
CID 119051656
N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 167894639
(2R)-2-(4-methylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 837819
2,2,2-trifluoro-N-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
CID 42648392
2,2,2-trifluoro-N-[[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
CID 51689111
1-[[(5R)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
CID 124873809
2-(3-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 21366996

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[(5S)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-pyridin-3-yloxypropanamide?
The IUPAC name of (2R)-N-[[(5S)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-pyridin-3-yloxypropanamide (CID 125141361) is (2R)-N-[[(5S)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-pyridin-3-yloxypropanamide.
What is the SMILES notation for (2R)-N-[[(5S)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-pyridin-3-yloxypropanamide?
The canonical SMILES for (2R)-N-[[(5S)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-pyridin-3-yloxypropanamide is Cc1ccc(C2=NO[C@H](CNC(=O)[C@@H](C)Oc3cccnc3)C2)cc1.
What is the InChIKey of (2R)-N-[[(5S)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-pyridin-3-yloxypropanamide?
The InChIKey is ROHZDDJXSZAFLO-PBHICJAKSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-13-5-7-15(8-6-13)18-10-17(25-22-18)12-21-19(23)14(2)24-16-4-3-9-20-11-16/h3-9,11,14,17H,10,12H2,1-2H3,(H,21,23)/t14-,17+/m1/s1.
What are the key properties of (2R)-N-[[(5S)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-pyridin-3-yloxypropanamide?
(2R)-N-[[(5S)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-pyridin-3-yloxypropanamide has a molecular weight of 339.40 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[(5S)-3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-pyridin-3-yloxypropanamide is sourced from PubChem (CID 125141361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).