(4R,5R)-2-ethoxy-4-methyl-5-phenyl-5-propan-2-yl-4H-1,3-oxazole

C15H21NO2 — CID 166441449

IUPAC(4R,5R)-2-ethoxy-4-methyl-5-phenyl-5-propan-2-yl-4H-1,3-oxazole
SMILESCCOC1=N[C@H](C)[C@](c2ccccc2)(C(C)C)O1
InChIInChI=1S/C15H21NO2/c1-5-17-14-16-12(4)15(18-14,11(2)3)13-9-7-6-8-10-13/h6-12H,5H2,1-4H3/t12-,15+/m1/s1
InChIKeyUWSZWFNUJANEKX-DOMZBBRYSA-N
MW247.34 g/mol
LogP3.35
Rot. Bonds3

About (4R,5R)-2-ethoxy-4-methyl-5-phenyl-5-propan-2-yl-4H-1,3-oxazole

(4R,5R)-2-ethoxy-4-methyl-5-phenyl-5-propan-2-yl-4H-1,3-oxazole (PubChem CID 166441449) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (4R,5R)-2-ethoxy-4-methyl-5-phenyl-5-propan-2-yl-4H-1,3-oxazole.

Molecular Properties

Compound Name(4R,5R)-2-ethoxy-4-methyl-5-phenyl-5-propan-2-yl-4H-1,3-oxazole
PubChem CID166441449
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(4R,5R)-2-ethoxy-4-methyl-5-phenyl-5-propan-2-yl-4H-1,3-oxazole
SMILESCCOC1=N[C@H](C)[C@](c2ccccc2)(C(C)C)O1
InChIInChI=1S/C15H21NO2/c1-5-17-14-16-12(4)15(18-14,11(2)3)13-9-7-6-8-10-13/h6-12H,5H2,1-4H3/t12-,15+/m1/s1
InChIKeyUWSZWFNUJANEKX-DOMZBBRYSA-N
XLogP3.35
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Oxazole, 4,5-dihydro-4-(methoxymethyl)-2-methyl-5-phenyl-, (4S,5S)-
CID 671208
((4S,5S)-2-methyl-5-phenyl(1,3-oxazolin-4-yl))methoxymethane
CID 6732872
2-Ethyl-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazole
CID 12755427
2-(Benzyloxy)-4-isobutyl-1,3-oxazol-5(4H)-one
CID 382265
4-(Methoxymethyl)-2-methyl-5-phenyl-4,5-dihydro-1,3-oxazole
CID 103584
(3S,4R)-2'-ethoxy-3-(trifluoromethyl)spiro[2,3-dihydro-1H-naphthalene-4,5'-4H-1,3-oxazole]
CID 134954190
(4R,5S)-4,5-Dihydro-4-methyl-5-phenyloxazole
CID 12254952
(4S,5R)-2-tert-butyl-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole
CID 101417791
(4S,5S)-2-ethyl-4-methoxymethyl-5-phenyl-2-oxazoline
CID 10932944
(4S,5R)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole
CID 12254954
3-Ethoxy-3-phenylpentan-2-amine
CID 21187080
2-(1-Aminoethyl)-2-phenyldioxolane
CID 54506116

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-2-ethoxy-4-methyl-5-phenyl-5-propan-2-yl-4H-1,3-oxazole?
The IUPAC name of (4R,5R)-2-ethoxy-4-methyl-5-phenyl-5-propan-2-yl-4H-1,3-oxazole (CID 166441449) is (4R,5R)-2-ethoxy-4-methyl-5-phenyl-5-propan-2-yl-4H-1,3-oxazole.
What is the SMILES notation for (4R,5R)-2-ethoxy-4-methyl-5-phenyl-5-propan-2-yl-4H-1,3-oxazole?
The canonical SMILES for (4R,5R)-2-ethoxy-4-methyl-5-phenyl-5-propan-2-yl-4H-1,3-oxazole is CCOC1=N[C@H](C)[C@](c2ccccc2)(C(C)C)O1.
What is the InChIKey of (4R,5R)-2-ethoxy-4-methyl-5-phenyl-5-propan-2-yl-4H-1,3-oxazole?
The InChIKey is UWSZWFNUJANEKX-DOMZBBRYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-5-17-14-16-12(4)15(18-14,11(2)3)13-9-7-6-8-10-13/h6-12H,5H2,1-4H3/t12-,15+/m1/s1.
What are the key properties of (4R,5R)-2-ethoxy-4-methyl-5-phenyl-5-propan-2-yl-4H-1,3-oxazole?
(4R,5R)-2-ethoxy-4-methyl-5-phenyl-5-propan-2-yl-4H-1,3-oxazole has a molecular weight of 247.34 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-2-ethoxy-4-methyl-5-phenyl-5-propan-2-yl-4H-1,3-oxazole is sourced from PubChem (CID 166441449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).