3-[(dimethylamino)methyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-amine

C13H17N3O2 — CID 20983312

IUPAC3-[(dimethylamino)methyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-amine
SMILESCOc1ccc(-c2c(CN(C)C)noc2N)cc1
InChIInChI=1S/C13H17N3O2/c1-16(2)8-11-12(13(14)18-15-11)9-4-6-10(17-3)7-5-9/h4-7H,8,14H2,1-3H3
InChIKeyFLBFFJXFEDNXQJ-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.99
Rot. Bonds4

About 3-[(dimethylamino)methyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-amine

3-[(dimethylamino)methyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-amine (PubChem CID 20983312) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-amine
PubChem CID20983312
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name3-[(dimethylamino)methyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-amine
SMILESCOc1ccc(-c2c(CN(C)C)noc2N)cc1
InChIInChI=1S/C13H17N3O2/c1-16(2)8-11-12(13(14)18-15-11)9-4-6-10(17-3)7-5-9/h4-7H,8,14H2,1-3H3
InChIKeyFLBFFJXFEDNXQJ-UHFFFAOYSA-N
XLogP1.99
TPSA64.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-ethylpiperazin-1-yl)methyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-amine
CID 20983318
3-(2-ethoxyethyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine
CID 43335930
3-(2,2-dimethylcyclopropyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine
CID 107001939
4-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-amine
CID 46227182
3-(5-chlorofuran-2-yl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine
CID 106687953
3-(5-bromofuran-2-yl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine
CID 43335944
4-(4-methoxyphenyl)-3-(1-methylimidazol-4-yl)-1,2-oxazol-5-amine
CID 107972754
3-(3-bromothiophen-2-yl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine
CID 63798656
4-(4-methoxyphenyl)-5-(3-methylbutan-2-yl)-1,2-oxazol-3-amine
CID 66198552
3-(2,2-dimethylpropyl)-4-(3-methoxy-4-methylphenyl)-1,2-oxazol-5-amine
CID 43158422
4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-amine;hydrochloride
CID 75530669
3-(5-bromo-2-methylphenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine;ethane
CID 144602769

Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-[(dimethylamino)methyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-amine (CID 20983312) is 3-[(dimethylamino)methyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-[(dimethylamino)methyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-[(dimethylamino)methyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-amine is COc1ccc(-c2c(CN(C)C)noc2N)cc1.
What is the InChIKey of 3-[(dimethylamino)methyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-amine?
The InChIKey is FLBFFJXFEDNXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-16(2)8-11-12(13(14)18-15-11)9-4-6-10(17-3)7-5-9/h4-7H,8,14H2,1-3H3.
What are the key properties of 3-[(dimethylamino)methyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-amine?
3-[(dimethylamino)methyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-amine has a molecular weight of 247.30 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 20983312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).