2-[4-[(2-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]ethanamine

C13H18N2O2 — CID 115062123

IUPAC2-[4-[(2-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]ethanamine
SMILESCOc1ccccc1CC1COC(CCN)=N1
InChIInChI=1S/C13H18N2O2/c1-16-12-5-3-2-4-10(12)8-11-9-17-13(15-11)6-7-14/h2-5,11H,6-9,14H2,1H3
InChIKeyGZYSFPNSZDZSNH-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.38
Rot. Bonds5

About 2-[4-[(2-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]ethanamine

2-[4-[(2-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]ethanamine (PubChem CID 115062123) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-[4-[(2-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[4-[(2-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]ethanamine
PubChem CID115062123
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-[4-[(2-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]ethanamine
SMILESCOc1ccccc1CC1COC(CCN)=N1
InChIInChI=1S/C13H18N2O2/c1-16-12-5-3-2-4-10(12)8-11-9-17-13(15-11)6-7-14/h2-5,11H,6-9,14H2,1H3
InChIKeyGZYSFPNSZDZSNH-UHFFFAOYSA-N
XLogP1.38
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyphenyl)ethanamine;hydrochloride
CID 12626553
(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[4-[(2-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4-oxobutanamide
CID 70931033
[4-[(3-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]methanamine
CID 115062086
(4S)-4-[(2-methylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 59323786
1-(cyclopent-3-en-1-ylmethyl)-2-methoxybenzene
CID 23391764
2-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 61334308
3-[(2-methoxyphenyl)methyl]oxolan-2-one
CID 12025278
2-[2-[[2-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1,3-oxazol-4-yl]ethanamine
CID 115061168
2-[5-(2-methoxyphenyl)-1,2-oxazol-4-yl]ethanamine
CID 82285402
N'-[2-(2-methoxyphenyl)ethyl]cyclopropanecarboximidamide
CID 106262569
2-[2-[(2-methoxyphenoxy)methyl]phenyl]ethanamine
CID 115464876
2-[4-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]ethanamine
CID 84672468

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]ethanamine?
The IUPAC name of 2-[4-[(2-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]ethanamine (CID 115062123) is 2-[4-[(2-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]ethanamine.
What is the SMILES notation for 2-[4-[(2-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]ethanamine?
The canonical SMILES for 2-[4-[(2-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]ethanamine is COc1ccccc1CC1COC(CCN)=N1.
What is the InChIKey of 2-[4-[(2-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]ethanamine?
The InChIKey is GZYSFPNSZDZSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-16-12-5-3-2-4-10(12)8-11-9-17-13(15-11)6-7-14/h2-5,11H,6-9,14H2,1H3.
What are the key properties of 2-[4-[(2-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]ethanamine?
2-[4-[(2-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]ethanamine has a molecular weight of 234.30 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]ethanamine is sourced from PubChem (CID 115062123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).