5-[(2-ethoxyphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine

C12H16N2O3 — CID 15337813

IUPAC5-[(2-ethoxyphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCCOc1ccccc1OCC1CN=C(N)O1
InChIInChI=1S/C12H16N2O3/c1-2-15-10-5-3-4-6-11(10)16-8-9-7-14-12(13)17-9/h3-6,9H,2,7-8H2,1H3,(H2,13,14)
InChIKeyAXDKICDJQAVERN-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.18
Rot. Bonds5

About 5-[(2-ethoxyphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine

5-[(2-ethoxyphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 15337813) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 5-[(2-ethoxyphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name5-[(2-ethoxyphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID15337813
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name5-[(2-ethoxyphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCCOc1ccccc1OCC1CN=C(N)O1
InChIInChI=1S/C12H16N2O3/c1-2-15-10-5-3-4-6-11(10)16-8-9-7-14-12(13)17-9/h3-6,9H,2,7-8H2,1H3,(H2,13,14)
InChIKeyAXDKICDJQAVERN-UHFFFAOYSA-N
XLogP1.18
TPSA66.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5S)-5-[[4-(2-ethylphenyl)phenoxy]methyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 67060022
5-[(3-phenylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 14796823
4-[(2-ethoxyphenoxy)methyl]-1,3-dioxolan-2-one
CID 171748740
bis(2-[(2-ethoxyphenoxy)methyl]morpholine);hydrochloride
CID 157316678
2-[(2-ethoxyphenoxy)methyl]morpholine;methane
CID 158820908
(6R)-6-[(2-ethoxyphenoxy)methyl]morpholin-3-one
CID 86330978
5-(2-ethoxyphenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 79510801
O-(2-ethoxyphenyl)hydroxylamine
CID 70279336
2,3-dihydro-1,4-benzodioxine-3-carbaldehyde;1-ethoxy-2-iodobenzene
CID 143330300
bis(2-[(2-methylphenoxy)methyl]oxirane);propane
CID 91036467
cis-(1R,2R)-2-(2-ethoxyphenyl)cyclopropan-1-amine
CID 39236736
cis-(1S,2S)-2-(2-ethoxyphenyl)cyclopropan-1-amine
CID 39236728

Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethoxyphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of 5-[(2-ethoxyphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine (CID 15337813) is 5-[(2-ethoxyphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for 5-[(2-ethoxyphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for 5-[(2-ethoxyphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine is CCOc1ccccc1OCC1CN=C(N)O1.
What is the InChIKey of 5-[(2-ethoxyphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is AXDKICDJQAVERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-2-15-10-5-3-4-6-11(10)16-8-9-7-14-12(13)17-9/h3-6,9H,2,7-8H2,1H3,(H2,13,14).
What are the key properties of 5-[(2-ethoxyphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
5-[(2-ethoxyphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 236.27 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethoxyphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 15337813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).