4-[[(5-ethyl-1,3-oxazol-2-yl)methylamino]methyl]-2-methoxyphenol

C14H18N2O3 — CID 106369147

IUPAC4-[[(5-ethyl-1,3-oxazol-2-yl)methylamino]methyl]-2-methoxyphenol
SMILESCCc1cnc(CNCc2ccc(O)c(OC)c2)o1
InChIInChI=1S/C14H18N2O3/c1-3-11-8-16-14(19-11)9-15-7-10-4-5-12(17)13(6-10)18-2/h4-6,8,15,17H,3,7,9H2,1-2H3
InChIKeyXPWDHPOKBJHGPN-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.24
Rot. Bonds6

About 4-[[(5-ethyl-1,3-oxazol-2-yl)methylamino]methyl]-2-methoxyphenol

4-[[(5-ethyl-1,3-oxazol-2-yl)methylamino]methyl]-2-methoxyphenol (PubChem CID 106369147) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-[[(5-ethyl-1,3-oxazol-2-yl)methylamino]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[[(5-ethyl-1,3-oxazol-2-yl)methylamino]methyl]-2-methoxyphenol
PubChem CID106369147
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name4-[[(5-ethyl-1,3-oxazol-2-yl)methylamino]methyl]-2-methoxyphenol
SMILESCCc1cnc(CNCc2ccc(O)c(OC)c2)o1
InChIInChI=1S/C14H18N2O3/c1-3-11-8-16-14(19-11)9-15-7-10-4-5-12(17)13(6-10)18-2/h4-6,8,15,17H,3,7,9H2,1-2H3
InChIKeyXPWDHPOKBJHGPN-UHFFFAOYSA-N
XLogP2.24
TPSA67.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-difluorophenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103275334
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(4-trimethylsilylphenyl)methanamine
CID 106371023
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(4-propoxyphenyl)methanamine
CID 103275364
4-[[(4-bromophenyl)methylamino]methyl]-2-methoxyphenol
CID 60735101
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(furan-3-yl)methanamine
CID 103275149
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(4-methyl-3-nitrophenyl)methanamine
CID 103275097
2-methoxy-4-[[(2-methylcyclopropyl)methylamino]methyl]phenol
CID 115978487
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(2,4,5-trimethylphenyl)methanamine
CID 104889459
1-(3-fluoro-4-methoxyphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 113252144
2-methoxy-4-[(nonylamino)methyl]phenol
CID 15788102
4-[[(3-bromophenyl)methylamino]methyl]-2-methoxyphenol
CID 61400923
4-[[(1-ethylpyrazol-3-yl)methylamino]methyl]-2-methoxyphenol
CID 19627503

Frequently Asked Questions

What is the IUPAC name of 4-[[(5-ethyl-1,3-oxazol-2-yl)methylamino]methyl]-2-methoxyphenol?
The IUPAC name of 4-[[(5-ethyl-1,3-oxazol-2-yl)methylamino]methyl]-2-methoxyphenol (CID 106369147) is 4-[[(5-ethyl-1,3-oxazol-2-yl)methylamino]methyl]-2-methoxyphenol.
What is the SMILES notation for 4-[[(5-ethyl-1,3-oxazol-2-yl)methylamino]methyl]-2-methoxyphenol?
The canonical SMILES for 4-[[(5-ethyl-1,3-oxazol-2-yl)methylamino]methyl]-2-methoxyphenol is CCc1cnc(CNCc2ccc(O)c(OC)c2)o1.
What is the InChIKey of 4-[[(5-ethyl-1,3-oxazol-2-yl)methylamino]methyl]-2-methoxyphenol?
The InChIKey is XPWDHPOKBJHGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-3-11-8-16-14(19-11)9-15-7-10-4-5-12(17)13(6-10)18-2/h4-6,8,15,17H,3,7,9H2,1-2H3.
What are the key properties of 4-[[(5-ethyl-1,3-oxazol-2-yl)methylamino]methyl]-2-methoxyphenol?
4-[[(5-ethyl-1,3-oxazol-2-yl)methylamino]methyl]-2-methoxyphenol has a molecular weight of 262.31 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5-ethyl-1,3-oxazol-2-yl)methylamino]methyl]-2-methoxyphenol is sourced from PubChem (CID 106369147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).