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

C14H18N2O2 — CID 65184141

IUPACN-[[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine
SMILESCOc1cccc(-c2cnc(CNC(C)C)o2)c1
InChIInChI=1S/C14H18N2O2/c1-10(2)15-9-14-16-8-13(18-14)11-5-4-6-12(7-11)17-3/h4-8,10,15H,9H2,1-3H3
InChIKeyOGEDRAFOJZWMOY-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.85
Rot. Bonds5

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

N-[[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine (PubChem CID 65184141) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-[[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine
PubChem CID65184141
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-[[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine
SMILESCOc1cccc(-c2cnc(CNC(C)C)o2)c1
InChIInChI=1S/C14H18N2O2/c1-10(2)15-9-14-16-8-13(18-14)11-5-4-6-12(7-11)17-3/h4-8,10,15H,9H2,1-3H3
InChIKeyOGEDRAFOJZWMOY-UHFFFAOYSA-N
XLogP2.85
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 65183905
N-ethyl-1-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine
CID 65181244
3-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65179138
1-cyclopropyl-3-[[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]methyl]urea
CID 165119935
N-[[5-(3-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 65183599
5-(3-methoxyphenyl)-2-methyl-1,3-oxazole
CID 67394978
3-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]-N-(1-methoxypropan-2-yl)propanamide
CID 133245082
N-[[2-(3-methoxyphenyl)-1H-imidazol-5-yl]methyl]propan-2-amine
CID 55177864
1-[5-(3,5-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-methylmethanamine
CID 65179211
N-methyl-2-[5-(3-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]ethanamine
CID 65182987
N-[[5-(5-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 65184147
1-(3-methoxyphenyl)-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea
CID 86924588

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine (CID 65184141) is N-[[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine is COc1cccc(-c2cnc(CNC(C)C)o2)c1.
What is the InChIKey of N-[[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine?
The InChIKey is OGEDRAFOJZWMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10(2)15-9-14-16-8-13(18-14)11-5-4-6-12(7-11)17-3/h4-8,10,15H,9H2,1-3H3.
What are the key properties of N-[[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine?
N-[[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine has a molecular weight of 246.31 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 65184141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).