[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-ethoxyphenyl]methanol

C15H20N2O3 — CID 60980472

IUPAC[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-ethoxyphenyl]methanol
SMILESCCOc1ccc(NCc2c(C)noc2C)cc1CO
InChIInChI=1S/C15H20N2O3/c1-4-19-15-6-5-13(7-12(15)9-18)16-8-14-10(2)17-20-11(14)3/h5-7,16,18H,4,8-9H2,1-3H3
InChIKeyRNFQPSIKFFIMOY-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.79
Rot. Bonds6

About [5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-ethoxyphenyl]methanol

[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-ethoxyphenyl]methanol (PubChem CID 60980472) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is [5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-ethoxyphenyl]methanol.

Molecular Properties

Compound Name[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-ethoxyphenyl]methanol
PubChem CID60980472
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-ethoxyphenyl]methanol
SMILESCCOc1ccc(NCc2c(C)noc2C)cc1CO
InChIInChI=1S/C15H20N2O3/c1-4-19-15-6-5-13(7-12(15)9-18)16-8-14-10(2)17-20-11(14)3/h5-7,16,18H,4,8-9H2,1-3H3
InChIKeyRNFQPSIKFFIMOY-UHFFFAOYSA-N
XLogP2.79
TPSA67.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

[2-ethoxy-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]phenyl]methanol
CID 54880114
[2-ethoxy-5-[(5-methyl-1H-imidazol-4-yl)methylamino]phenyl]methanol
CID 62742857
3-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-propoxyaniline
CID 60934618
3-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxyaniline
CID 63997036
[5-[(3,4-dichlorophenyl)methylamino]-2-ethoxyphenyl]methanol
CID 60981003
[2-ethoxy-5-[(4-fluorophenyl)methylamino]phenyl]methanol
CID 60980868
[5-[(3,5-dichlorophenyl)methylamino]-2-ethoxyphenyl]methanol
CID 60980596
[5-(2,2-dimethylpropylamino)-2-ethoxyphenyl]methanol
CID 61324347
[5-[(5-chlorofuran-2-yl)methylamino]-2-ethoxyphenyl]methanol
CID 54880065
[2-ethoxy-5-(1H-imidazol-5-ylmethylamino)phenyl]methanol
CID 62763564
[5-[(2-aminophenyl)methylamino]-2-ethoxyphenyl]methanol
CID 66419817
[5-bromo-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanol
CID 28825757

Frequently Asked Questions

What is the IUPAC name of [5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-ethoxyphenyl]methanol?
The IUPAC name of [5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-ethoxyphenyl]methanol (CID 60980472) is [5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-ethoxyphenyl]methanol.
What is the SMILES notation for [5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-ethoxyphenyl]methanol?
The canonical SMILES for [5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-ethoxyphenyl]methanol is CCOc1ccc(NCc2c(C)noc2C)cc1CO.
What is the InChIKey of [5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-ethoxyphenyl]methanol?
The InChIKey is RNFQPSIKFFIMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-4-19-15-6-5-13(7-12(15)9-18)16-8-14-10(2)17-20-11(14)3/h5-7,16,18H,4,8-9H2,1-3H3.
What are the key properties of [5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-ethoxyphenyl]methanol?
[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-ethoxyphenyl]methanol has a molecular weight of 276.34 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-ethoxyphenyl]methanol is sourced from PubChem (CID 60980472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).