2-[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]propan-2-ol

C16H21NO3 — CID 110006114

IUPAC2-[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]propan-2-ol
SMILESCC(C)c1ocnc1COc1ccc(C(C)(C)O)cc1
InChIInChI=1S/C16H21NO3/c1-11(2)15-14(17-10-20-15)9-19-13-7-5-12(6-8-13)16(3,4)18/h5-8,10-11,18H,9H2,1-4H3
InChIKeyWMGPPUQRRPONKA-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.60
Rot. Bonds5

About 2-[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]propan-2-ol

2-[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]propan-2-ol (PubChem CID 110006114) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]propan-2-ol
PubChem CID110006114
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name2-[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]propan-2-ol
SMILESCC(C)c1ocnc1COc1ccc(C(C)(C)O)cc1
InChIInChI=1S/C16H21NO3/c1-11(2)15-14(17-10-20-15)9-19-13-7-5-12(6-8-13)16(3,4)18/h5-8,10-11,18H,9H2,1-4H3
InChIKeyWMGPPUQRRPONKA-UHFFFAOYSA-N
XLogP3.60
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[3-[4-(2-hydroxypropan-2-yl)phenoxy]-2,2-bis[[4-(2-hydroxypropan-2-yl)phenoxy]methyl]propoxy]phenyl]propan-2-ol
CID 165095225
(2S)-2-(4-ethoxyphenyl)-3-methylbutan-2-ol
CID 94601213
4-(2,2-difluoroethyl)-5-propan-2-yl-1,3-oxazole
CID 169163494
2-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-ol
CID 75499143
2-[4-(2-hydroxypropan-2-yl)phenoxy]acetamide
CID 177146694
2-(4-ethoxyphenyl)-1,1-difluoropropan-2-ol
CID 80604410
2-(4-propan-2-ylphenyl)propan-2-ol
CID 18935
2-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]propan-2-ol
CID 84699476
[5-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methanol
CID 79145618
2-(4-ethoxyphenyl)-3-[2-(4-ethoxyphenyl)propan-2-yloxy]butan-2-ol
CID 129179765
4-[2-[4-(trimethylsilylmethoxy)phenyl]propan-2-yl]phenol
CID 59326359
[3-acetyloxy-2,3-bis(4-ethoxyphenyl)butan-2-yl] acetate
CID 139891574

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]propan-2-ol?
The IUPAC name of 2-[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]propan-2-ol (CID 110006114) is 2-[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]propan-2-ol.
What is the SMILES notation for 2-[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]propan-2-ol?
The canonical SMILES for 2-[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]propan-2-ol is CC(C)c1ocnc1COc1ccc(C(C)(C)O)cc1.
What is the InChIKey of 2-[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]propan-2-ol?
The InChIKey is WMGPPUQRRPONKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-11(2)15-14(17-10-20-15)9-19-13-7-5-12(6-8-13)16(3,4)18/h5-8,10-11,18H,9H2,1-4H3.
What are the key properties of 2-[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]propan-2-ol?
2-[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]propan-2-ol has a molecular weight of 275.35 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-propan-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]propan-2-ol is sourced from PubChem (CID 110006114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).