(4R)-2-ethoxy-4-ethyl-4,5-dihydro-1,3-oxazole

C7H13NO2 — CID 131845397

IUPAC(4R)-2-ethoxy-4-ethyl-4,5-dihydro-1,3-oxazole
SMILESCCOC1=N[C@H](CC)CO1
InChIInChI=1S/C7H13NO2/c1-3-6-5-10-7(8-6)9-4-2/h6H,3-5H2,1-2H3/t6-/m1/s1
InChIKeyUBAWEFYJCNNHIN-ZCFIWIBFSA-N
MW143.19 g/mol
LogP1.19
Rot. Bonds2

About (4R)-2-ethoxy-4-ethyl-4,5-dihydro-1,3-oxazole

(4R)-2-ethoxy-4-ethyl-4,5-dihydro-1,3-oxazole (PubChem CID 131845397) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is (4R)-2-ethoxy-4-ethyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4R)-2-ethoxy-4-ethyl-4,5-dihydro-1,3-oxazole
PubChem CID131845397
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name(4R)-2-ethoxy-4-ethyl-4,5-dihydro-1,3-oxazole
SMILESCCOC1=N[C@H](CC)CO1
InChIInChI=1S/C7H13NO2/c1-3-6-5-10-7(8-6)9-4-2/h6H,3-5H2,1-2H3/t6-/m1/s1
InChIKeyUBAWEFYJCNNHIN-ZCFIWIBFSA-N
XLogP1.19
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (4S)-2-ethoxy-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 131845401
dioxorhenium;bis((4S)-4-ethyl-2-[(4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]-4,5-dihydro-1,3-oxazole)
CID 58936995
4-ethyl-2-heptyl-4,5-dihydro-1,3-oxazole
CID 19844013
(4S)-4-ethyl-2-[5-[(4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]-1,5-diazocan-1-yl]-4,5-dihydro-1,3-oxazole
CID 101211386
(4S)-4-ethyl-2-[2-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,5-dihydro-1,3-oxazole
CID 101098684
(4R)-4-ethyl-2-[2-[2-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phenyl]-4,5-dihydro-1,3-oxazole
CID 101157322
2-[1-(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)ethyl]-4-methyl-4,5-dihydro-1,3-oxazole
CID 121442660
(4S)-4-ethyl-2-[6-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole
CID 66556676
(4S)-2-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4-ethyl-4,5-dihydro-1,3-oxazole
CID 167632153
4-ethyl-2-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazole
CID 3041214
(4R)-4-ethyl-2-(6-tetradecoxynaphthalen-2-yl)-4,5-dihydro-1,3-oxazole
CID 71422736
(4S)-4-(2-ethoxyethyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 59173177

Frequently Asked Questions

What is the IUPAC name of (4R)-2-ethoxy-4-ethyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4R)-2-ethoxy-4-ethyl-4,5-dihydro-1,3-oxazole (CID 131845397) is (4R)-2-ethoxy-4-ethyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4R)-2-ethoxy-4-ethyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4R)-2-ethoxy-4-ethyl-4,5-dihydro-1,3-oxazole is CCOC1=N[C@H](CC)CO1.
What is the InChIKey of (4R)-2-ethoxy-4-ethyl-4,5-dihydro-1,3-oxazole?
The InChIKey is UBAWEFYJCNNHIN-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H13NO2/c1-3-6-5-10-7(8-6)9-4-2/h6H,3-5H2,1-2H3/t6-/m1/s1.
What are the key properties of (4R)-2-ethoxy-4-ethyl-4,5-dihydro-1,3-oxazole?
(4R)-2-ethoxy-4-ethyl-4,5-dihydro-1,3-oxazole has a molecular weight of 143.19 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-ethoxy-4-ethyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 131845397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).