2-methyl-2-[(2-phenyl-1,3-oxazol-4-yl)methylamino]pentan-1-ol

C16H22N2O2 — CID 111432763

IUPAC2-methyl-2-[(2-phenyl-1,3-oxazol-4-yl)methylamino]pentan-1-ol
SMILESCCCC(C)(CO)NCc1coc(-c2ccccc2)n1
InChIInChI=1S/C16H22N2O2/c1-3-9-16(2,12-19)17-10-14-11-20-15(18-14)13-7-5-4-6-8-13/h4-8,11,17,19H,3,9-10,12H2,1-2H3
InChIKeyZZAOYOHGQZJMPM-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.98
Rot. Bonds7

About 2-methyl-2-[(2-phenyl-1,3-oxazol-4-yl)methylamino]pentan-1-ol

2-methyl-2-[(2-phenyl-1,3-oxazol-4-yl)methylamino]pentan-1-ol (PubChem CID 111432763) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-methyl-2-[(2-phenyl-1,3-oxazol-4-yl)methylamino]pentan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[(2-phenyl-1,3-oxazol-4-yl)methylamino]pentan-1-ol
PubChem CID111432763
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-methyl-2-[(2-phenyl-1,3-oxazol-4-yl)methylamino]pentan-1-ol
SMILESCCCC(C)(CO)NCc1coc(-c2ccccc2)n1
InChIInChI=1S/C16H22N2O2/c1-3-9-16(2,12-19)17-10-14-11-20-15(18-14)13-7-5-4-6-8-13/h4-8,11,17,19H,3,9-10,12H2,1-2H3
InChIKeyZZAOYOHGQZJMPM-UHFFFAOYSA-N
XLogP2.98
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-4-propyl-1,3-oxazole
CID 23537835
2-methyl-2-[methyl-[(2-phenyl-1,3-oxazol-4-yl)methyl]amino]propan-1-ol
CID 115640881
1-(2-ethyl-2-hydroxybutyl)-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]urea
CID 111507637
1-ethyl-2-methyl-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine;hydroiodide
CID 111552463
N-(1-hydroxy-2-methylpropan-2-yl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide
CID 110001098
1-butyl-2-methyl-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine
CID 111552466
N-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine
CID 60682858
1-[(5-ethylthiophen-2-yl)methyl]-2-methyl-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine
CID 111552118
2-anilino-2-methylpentan-1-ol
CID 61046243
[3-[(2-phenyl-1,3-oxazol-4-yl)methylamino]-4-pyridinyl]methanol
CID 84595089
3-methyl-2-[(2-phenyl-1,3-oxazol-4-yl)methylamino]butanoic acid
CID 43468509
N-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine
CID 65288493

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2-phenyl-1,3-oxazol-4-yl)methylamino]pentan-1-ol?
The IUPAC name of 2-methyl-2-[(2-phenyl-1,3-oxazol-4-yl)methylamino]pentan-1-ol (CID 111432763) is 2-methyl-2-[(2-phenyl-1,3-oxazol-4-yl)methylamino]pentan-1-ol.
What is the SMILES notation for 2-methyl-2-[(2-phenyl-1,3-oxazol-4-yl)methylamino]pentan-1-ol?
The canonical SMILES for 2-methyl-2-[(2-phenyl-1,3-oxazol-4-yl)methylamino]pentan-1-ol is CCCC(C)(CO)NCc1coc(-c2ccccc2)n1.
What is the InChIKey of 2-methyl-2-[(2-phenyl-1,3-oxazol-4-yl)methylamino]pentan-1-ol?
The InChIKey is ZZAOYOHGQZJMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-3-9-16(2,12-19)17-10-14-11-20-15(18-14)13-7-5-4-6-8-13/h4-8,11,17,19H,3,9-10,12H2,1-2H3.
What are the key properties of 2-methyl-2-[(2-phenyl-1,3-oxazol-4-yl)methylamino]pentan-1-ol?
2-methyl-2-[(2-phenyl-1,3-oxazol-4-yl)methylamino]pentan-1-ol has a molecular weight of 274.36 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2-phenyl-1,3-oxazol-4-yl)methylamino]pentan-1-ol is sourced from PubChem (CID 111432763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).