2-[2-(1-aminoethyl)-5-methyl-1,3-oxazol-4-yl]phenol

C12H14N2O2 — CID 115030601

IUPAC2-[2-(1-aminoethyl)-5-methyl-1,3-oxazol-4-yl]phenol
SMILESCc1oc(C(C)N)nc1-c1ccccc1O
InChIInChI=1S/C12H14N2O2/c1-7(13)12-14-11(8(2)16-12)9-5-3-4-6-10(9)15/h3-7,15H,13H2,1-2H3
InChIKeyHQRDXBQNSMFDIA-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.38
Rot. Bonds2

About 2-[2-(1-aminoethyl)-5-methyl-1,3-oxazol-4-yl]phenol

2-[2-(1-aminoethyl)-5-methyl-1,3-oxazol-4-yl]phenol (PubChem CID 115030601) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-[2-(1-aminoethyl)-5-methyl-1,3-oxazol-4-yl]phenol.

Molecular Properties

Compound Name2-[2-(1-aminoethyl)-5-methyl-1,3-oxazol-4-yl]phenol
PubChem CID115030601
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name2-[2-(1-aminoethyl)-5-methyl-1,3-oxazol-4-yl]phenol
SMILESCc1oc(C(C)N)nc1-c1ccccc1O
InChIInChI=1S/C12H14N2O2/c1-7(13)12-14-11(8(2)16-12)9-5-3-4-6-10(9)15/h3-7,15H,13H2,1-2H3
InChIKeyHQRDXBQNSMFDIA-UHFFFAOYSA-N
XLogP2.38
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dimethyl-1,3-oxazol-4-yl)aniline
CID 83876961
2-[3-(1-aminoethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 137002843
(1S)-1-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 42046774
2-(5-amino-2-methyl-1,3-thiazol-4-yl)phenol
CID 84779153
2-(2-amino-5-bromo-1,3-oxazol-4-yl)phenol
CID 12544240
5-methyl-4-(4-methylphenyl)-2-propan-2-yl-1,3-oxazole
CID 45097413
4-(1-aminoethyl)-2-(2-hydroxyphenyl)phenol
CID 115037146
2-[2-(hydroxymethyl)-5-propan-2-yl-1H-imidazol-4-yl]phenol
CID 105490983
2-[3-(1-aminoethyl)-4-fluorophenyl]phenol
CID 115038229
2-(3,5-dimethyl-6-phenyl-2-pyridinyl)phenol
CID 140883622
2-[4-methyl-6-[[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]amino]pyrimidin-2-yl]phenol
CID 136818910
2-[3,5-difluoro-6-(2-hydroxyphenyl)pyrazin-2-yl]phenol
CID 140692175

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-aminoethyl)-5-methyl-1,3-oxazol-4-yl]phenol?
The IUPAC name of 2-[2-(1-aminoethyl)-5-methyl-1,3-oxazol-4-yl]phenol (CID 115030601) is 2-[2-(1-aminoethyl)-5-methyl-1,3-oxazol-4-yl]phenol.
What is the SMILES notation for 2-[2-(1-aminoethyl)-5-methyl-1,3-oxazol-4-yl]phenol?
The canonical SMILES for 2-[2-(1-aminoethyl)-5-methyl-1,3-oxazol-4-yl]phenol is Cc1oc(C(C)N)nc1-c1ccccc1O.
What is the InChIKey of 2-[2-(1-aminoethyl)-5-methyl-1,3-oxazol-4-yl]phenol?
The InChIKey is HQRDXBQNSMFDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-7(13)12-14-11(8(2)16-12)9-5-3-4-6-10(9)15/h3-7,15H,13H2,1-2H3.
What are the key properties of 2-[2-(1-aminoethyl)-5-methyl-1,3-oxazol-4-yl]phenol?
2-[2-(1-aminoethyl)-5-methyl-1,3-oxazol-4-yl]phenol has a molecular weight of 218.26 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-aminoethyl)-5-methyl-1,3-oxazol-4-yl]phenol is sourced from PubChem (CID 115030601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).