1-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylamino]-3-(4-ethoxyphenoxy)propan-2-ol

C17H24N2O4 — CID 111544151

IUPAC1-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylamino]-3-(4-ethoxyphenoxy)propan-2-ol
SMILESCCOc1ccc(OCC(O)CN(C)c2c(C)noc2C)cc1
InChIInChI=1S/C17H24N2O4/c1-5-21-15-6-8-16(9-7-15)22-11-14(20)10-19(4)17-12(2)18-23-13(17)3/h6-9,14,20H,5,10-11H2,1-4H3
InChIKeyNQTLUQCVGBIIOL-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.57
Rot. Bonds8

About 1-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylamino]-3-(4-ethoxyphenoxy)propan-2-ol

1-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylamino]-3-(4-ethoxyphenoxy)propan-2-ol (PubChem CID 111544151) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylamino]-3-(4-ethoxyphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylamino]-3-(4-ethoxyphenoxy)propan-2-ol
PubChem CID111544151
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylamino]-3-(4-ethoxyphenoxy)propan-2-ol
SMILESCCOc1ccc(OCC(O)CN(C)c2c(C)noc2C)cc1
InChIInChI=1S/C17H24N2O4/c1-5-21-15-6-8-16(9-7-15)22-11-14(20)10-19(4)17-12(2)18-23-13(17)3/h6-9,14,20H,5,10-11H2,1-4H3
InChIKeyNQTLUQCVGBIIOL-UHFFFAOYSA-N
XLogP2.57
TPSA67.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylamino]ethanol
CID 111824415
2-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylamino]-1-(3-methoxyphenyl)ethanol
CID 111824414
N-(2,2-difluoroethyl)-N,3,5-trimethyl-1,2-oxazol-4-amine
CID 130677337
(2S)-1-[4-[(2R)-2-hydroxy-3-(N-methylanilino)propoxy]phenoxy]-3-(N-methylanilino)propan-2-ol
CID 1232760
(2R)-1-(4-ethoxyphenoxy)-3-[methyl-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]amino]propan-2-ol
CID 26005270
N-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 6975865
(2S)-1-(N-methylanilino)-3-phenoxypropan-2-ol
CID 10934135
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-(4-fluorophenoxy)propan-2-ol
CID 78971544
1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl-methylamino]-3-(4-ethoxyphenoxy)propan-2-ol
CID 53363425
1-[2-hydroxyethyl(methyl)amino]-3-[4-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propoxy]phenoxy]propan-2-ol
CID 3638612
(2R)-1-(4-aminophenoxy)-3-(dimethylamino)propan-2-ol
CID 51863667
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide
CID 26555263

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylamino]-3-(4-ethoxyphenoxy)propan-2-ol?
The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylamino]-3-(4-ethoxyphenoxy)propan-2-ol (CID 111544151) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylamino]-3-(4-ethoxyphenoxy)propan-2-ol.
What is the SMILES notation for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylamino]-3-(4-ethoxyphenoxy)propan-2-ol?
The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylamino]-3-(4-ethoxyphenoxy)propan-2-ol is CCOc1ccc(OCC(O)CN(C)c2c(C)noc2C)cc1.
What is the InChIKey of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylamino]-3-(4-ethoxyphenoxy)propan-2-ol?
The InChIKey is NQTLUQCVGBIIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-5-21-15-6-8-16(9-7-15)22-11-14(20)10-19(4)17-12(2)18-23-13(17)3/h6-9,14,20H,5,10-11H2,1-4H3.
What are the key properties of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylamino]-3-(4-ethoxyphenoxy)propan-2-ol?
1-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylamino]-3-(4-ethoxyphenoxy)propan-2-ol has a molecular weight of 320.39 g/mol, XLogP of 2.57, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)-methylamino]-3-(4-ethoxyphenoxy)propan-2-ol is sourced from PubChem (CID 111544151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).