N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]oxan-3-amine

C16H20N2O3 — CID 122564765

IUPACN-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]oxan-3-amine
SMILESCOc1cccc(-c2cc(CNC3CCCOC3)no2)c1
InChIInChI=1S/C16H20N2O3/c1-19-15-6-2-4-12(8-15)16-9-14(18-21-16)10-17-13-5-3-7-20-11-13/h2,4,6,8-9,13,17H,3,5,7,10-11H2,1H3
InChIKeyZKNVKQNQAKNHOK-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.62
Rot. Bonds5

About N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]oxan-3-amine

N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]oxan-3-amine (PubChem CID 122564765) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]oxan-3-amine.

Molecular Properties

Compound NameN-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]oxan-3-amine
PubChem CID122564765
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC NameN-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]oxan-3-amine
SMILESCOc1cccc(-c2cc(CNC3CCCOC3)no2)c1
InChIInChI=1S/C16H20N2O3/c1-19-15-6-2-4-12(8-15)16-9-14(18-21-16)10-17-13-5-3-7-20-11-13/h2,4,6,8-9,13,17H,3,5,7,10-11H2,1H3
InChIKeyZKNVKQNQAKNHOK-UHFFFAOYSA-N
XLogP2.62
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]oxan-3-amine
CID 122569432
N-[(4-methoxyphenyl)methyl]oxan-3-amine
CID 63360174
[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanamine;hydrochloride
CID 50998515
N-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclopentanamine
CID 170752500
(4R)-N-[(3-methoxyphenyl)methyl]oxepan-4-amine
CID 124512291
N-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclohexanamine
CID 170752624
N-[(3-methoxy-5-nitrophenyl)methyl]oxan-3-amine
CID 81154406
4-methoxy-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866986
N-[(3,4-dimethoxyphenyl)methyl]oxan-3-amine
CID 63360173
4-(3-methoxyphenyl)-5-(oxan-3-yl)-1,2-oxazol-3-amine
CID 66200693
2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-(2-methylcyclohexyl)acetamide
CID 16878951
N-[[2-(3-methoxyphenyl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 62755519

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]oxan-3-amine?
The IUPAC name of N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]oxan-3-amine (CID 122564765) is N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]oxan-3-amine.
What is the SMILES notation for N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]oxan-3-amine?
The canonical SMILES for N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]oxan-3-amine is COc1cccc(-c2cc(CNC3CCCOC3)no2)c1.
What is the InChIKey of N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]oxan-3-amine?
The InChIKey is ZKNVKQNQAKNHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-19-15-6-2-4-12(8-15)16-9-14(18-21-16)10-17-13-5-3-7-20-11-13/h2,4,6,8-9,13,17H,3,5,7,10-11H2,1H3.
What are the key properties of N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]oxan-3-amine?
N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]oxan-3-amine has a molecular weight of 288.35 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]oxan-3-amine is sourced from PubChem (CID 122564765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).