2-[[(3R,4S)-4-ethoxyoxolan-3-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide

C18H23N3O4 — CID 166235707

IUPAC2-[[(3R,4S)-4-ethoxyoxolan-3-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
SMILESCCO[C@@H]1COC[C@H]1NC(C(=O)Nc1cc(C)on1)c1ccccc1
InChIInChI=1S/C18H23N3O4/c1-3-24-15-11-23-10-14(15)19-17(13-7-5-4-6-8-13)18(22)20-16-9-12(2)25-21-16/h4-9,14-15,17,19H,3,10-11H2,1-2H3,(H,20,21,22)/t14-,15-,17?/m1/s1
InChIKeySDLGEFYYGBNZPE-BLBXNVQISA-N
MW345.40 g/mol
LogP2.06
Rot. Bonds7

About 2-[[(3R,4S)-4-ethoxyoxolan-3-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide

2-[[(3R,4S)-4-ethoxyoxolan-3-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide (PubChem CID 166235707) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-[[(3R,4S)-4-ethoxyoxolan-3-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide.

Molecular Properties

Compound Name2-[[(3R,4S)-4-ethoxyoxolan-3-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
PubChem CID166235707
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name2-[[(3R,4S)-4-ethoxyoxolan-3-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
SMILESCCO[C@@H]1COC[C@H]1NC(C(=O)Nc1cc(C)on1)c1ccccc1
InChIInChI=1S/C18H23N3O4/c1-3-24-15-11-23-10-14(15)19-17(13-7-5-4-6-8-13)18(22)20-16-9-12(2)25-21-16/h4-9,14-15,17,19H,3,10-11H2,1-2H3,(H,20,21,22)/t14-,15-,17?/m1/s1
InChIKeySDLGEFYYGBNZPE-BLBXNVQISA-N
XLogP2.06
TPSA85.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[(3S,4R)-3-methoxyoxan-4-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 166276773
2-[2-(3-ethoxycyclobutyl)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 166220521
(2S)-2-[(4-methylcyclohexyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 35786341
2-(4-ethoxy-3-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 17491956
N-(5-methyl-1,2-oxazol-3-yl)-2-[[(2S,3R)-2-(6-oxo-1H-pyridin-3-yl)oxolan-3-yl]amino]-2-phenylacetamide
CID 167847077
2-(4-ethylanilino)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 17488545
(2S)-2-(4-methoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 40792652
(2S)-2-(1,3-benzodioxol-5-ylamino)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 40791076
2-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]-N,2-diphenylacetamide
CID 55910045
2-[(1-cyclopropyl-2-oxopiperidin-3-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 167946019
2-[2-(4-fluorophenyl)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 86913137
(2S)-2-(4-acetylpiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 34680281

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R,4S)-4-ethoxyoxolan-3-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide?
The IUPAC name of 2-[[(3R,4S)-4-ethoxyoxolan-3-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide (CID 166235707) is 2-[[(3R,4S)-4-ethoxyoxolan-3-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide.
What is the SMILES notation for 2-[[(3R,4S)-4-ethoxyoxolan-3-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide?
The canonical SMILES for 2-[[(3R,4S)-4-ethoxyoxolan-3-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide is CCO[C@@H]1COC[C@H]1NC(C(=O)Nc1cc(C)on1)c1ccccc1.
What is the InChIKey of 2-[[(3R,4S)-4-ethoxyoxolan-3-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide?
The InChIKey is SDLGEFYYGBNZPE-BLBXNVQISA-N. The full InChI is InChI=1S/C18H23N3O4/c1-3-24-15-11-23-10-14(15)19-17(13-7-5-4-6-8-13)18(22)20-16-9-12(2)25-21-16/h4-9,14-15,17,19H,3,10-11H2,1-2H3,(H,20,21,22)/t14-,15-,17?/m1/s1.
What are the key properties of 2-[[(3R,4S)-4-ethoxyoxolan-3-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide?
2-[[(3R,4S)-4-ethoxyoxolan-3-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide has a molecular weight of 345.40 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R,4S)-4-ethoxyoxolan-3-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide is sourced from PubChem (CID 166235707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).