N-[[2-(2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine

C14H18N2O2 — CID 65288045

IUPACN-[[2-(2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
SMILESCOc1ccccc1-c1nc(CNC(C)C)co1
InChIInChI=1S/C14H18N2O2/c1-10(2)15-8-11-9-18-14(16-11)12-6-4-5-7-13(12)17-3/h4-7,9-10,15H,8H2,1-3H3
InChIKeyZPFOGJCNFZSBIY-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.85
Rot. Bonds5

About N-[[2-(2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine

N-[[2-(2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine (PubChem CID 65288045) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-[[2-(2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
PubChem CID65288045
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-[[2-(2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
SMILESCOc1ccccc1-c1nc(CNC(C)C)co1
InChIInChI=1S/C14H18N2O2/c1-10(2)15-8-11-9-18-14(16-11)12-6-4-5-7-13(12)17-3/h4-7,9-10,15H,8H2,1-3H3
InChIKeyZPFOGJCNFZSBIY-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-[[2-(2,5-dimethoxyphenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 65288580
N-[[2-(5-chloro-2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 65288094
N-[[2-(2-nitrophenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 65288433
N-[[2-(2-bromophenyl)-1,3-oxazol-4-yl]methyl]-1-methoxypropan-2-amine
CID 56658481
N-[[2-(5-fluoro-2-methylphenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 65288582
1-[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]-N-methylmethanamine
CID 65288753
methyl 5-[2-(2-methoxyphenyl)-1,3-oxazol-4-yl]pentanoate
CID 59167756
N-[[2-(2-methoxyphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82434875
N-[[5-(2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 79146027
N-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine
CID 65288493
N-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 65288161
N-[[2-(1-benzothiophen-2-yl)-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 65287899

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine (CID 65288045) is N-[[2-(2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine is COc1ccccc1-c1nc(CNC(C)C)co1.
What is the InChIKey of N-[[2-(2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine?
The InChIKey is ZPFOGJCNFZSBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10(2)15-8-11-9-18-14(16-11)12-6-4-5-7-13(12)17-3/h4-7,9-10,15H,8H2,1-3H3.
What are the key properties of N-[[2-(2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine?
N-[[2-(2-methoxyphenyl)-1,3-oxazol-4-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-[[2-(2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 65288045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).