(4S,5S)-2-ethyl-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazole

C13H17NO2 — CID 10932944

IUPAC(4S,5S)-2-ethyl-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazole
SMILESCCC1=N[C@@H](COC)[C@H](c2ccccc2)O1
InChIInChI=1S/C13H17NO2/c1-3-12-14-11(9-15-2)13(16-12)10-7-5-4-6-8-10/h4-8,11,13H,3,9H2,1-2H3/t11-,13-/m0/s1
InChIKeySTXRYURWTDYWHH-AAEUAGOBSA-N
MW219.28 g/mol
LogP2.58
Rot. Bonds4

About (4S,5S)-2-ethyl-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazole

(4S,5S)-2-ethyl-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazole (PubChem CID 10932944) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is (4S,5S)-2-ethyl-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S,5S)-2-ethyl-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazole
PubChem CID10932944
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name(4S,5S)-2-ethyl-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazole
SMILESCCC1=N[C@@H](COC)[C@H](c2ccccc2)O1
InChIInChI=1S/C13H17NO2/c1-3-12-14-11(9-15-2)13(16-12)10-7-5-4-6-8-10/h4-8,11,13H,3,9H2,1-2H3/t11-,13-/m0/s1
InChIKeySTXRYURWTDYWHH-AAEUAGOBSA-N
XLogP2.58
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-Dihydro-4-methyl-5-phenyl-2-oxazolamine
CID 92196
(4S,5R)-4-Methylaminorex
CID 3058692
2-Phenyl-2-oxazoline
CID 244030
4-Methylaminorex, (4S,5S)-
CID 214156
(4R,5S,4'R,5'S)-2,2'-Methylenebis(4,5-diphenyl-2-oxazoline)
CID 2818124
2-Methoxy-N,N-dimethyl-2-phenylethan-1-amine
CID 23180
Oxazole, 4,5-dihydro-4-(methoxymethyl)-2-methyl-5-phenyl-, (4S,5S)-
CID 671208
(4S,5S)-(-)-2-Ethyl-5-phenyl-2-oxazoline-4-methanol
CID 11041893
(4S)-2-(3-methylphenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazole
CID 17756809
Mls002667700
CID 244135
2,4-Diphenyl-1,3-oxazoline
CID 10889524
(4S)-4-(1-phenyl-ethoxymethyl)-4,5-dihydro-oxazol-2-ylamine
CID 45101106

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-2-ethyl-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S,5S)-2-ethyl-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazole (CID 10932944) is (4S,5S)-2-ethyl-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S,5S)-2-ethyl-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S,5S)-2-ethyl-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazole is CCC1=N[C@@H](COC)[C@H](c2ccccc2)O1.
What is the InChIKey of (4S,5S)-2-ethyl-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazole?
The InChIKey is STXRYURWTDYWHH-AAEUAGOBSA-N. The full InChI is InChI=1S/C13H17NO2/c1-3-12-14-11(9-15-2)13(16-12)10-7-5-4-6-8-10/h4-8,11,13H,3,9H2,1-2H3/t11-,13-/m0/s1.
What are the key properties of (4S,5S)-2-ethyl-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazole?
(4S,5S)-2-ethyl-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazole has a molecular weight of 219.28 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-2-ethyl-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 10932944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).