3-[2-(3-hydroxypropyl)-1,3-oxazol-4-yl]phenol

C12H13NO3 — CID 115031213

IUPAC3-[2-(3-hydroxypropyl)-1,3-oxazol-4-yl]phenol
SMILESOCCCc1nc(-c2cccc(O)c2)co1
InChIInChI=1S/C12H13NO3/c14-6-2-5-12-13-11(8-16-12)9-3-1-4-10(15)7-9/h1,3-4,7-8,14-15H,2,5-6H2
InChIKeyAYRSDPSYRAAAJP-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.97
Rot. Bonds4

About 3-[2-(3-hydroxypropyl)-1,3-oxazol-4-yl]phenol

3-[2-(3-hydroxypropyl)-1,3-oxazol-4-yl]phenol (PubChem CID 115031213) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 3-[2-(3-hydroxypropyl)-1,3-oxazol-4-yl]phenol.

Molecular Properties

Compound Name3-[2-(3-hydroxypropyl)-1,3-oxazol-4-yl]phenol
PubChem CID115031213
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name3-[2-(3-hydroxypropyl)-1,3-oxazol-4-yl]phenol
SMILESOCCCc1nc(-c2cccc(O)c2)co1
InChIInChI=1S/C12H13NO3/c14-6-2-5-12-13-11(8-16-12)9-3-1-4-10(15)7-9/h1,3-4,7-8,14-15H,2,5-6H2
InChIKeyAYRSDPSYRAAAJP-UHFFFAOYSA-N
XLogP1.97
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-benzyl-1,3-oxazol-4-yl)phenol
CID 115046801
2-[2-(3-hydroxypropyl)-1,3-oxazol-4-yl]phenol
CID 115031212
3-(4-phenyl-1,3-oxazol-2-yl)phenol
CID 115041984
3-[4-(3-fluorophenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 115031927
3-[4-(2-bromophenyl)-1,3-oxazol-2-yl]propan-1-ol
CID 115051821
2-[4-(3-methylphenyl)-1,3-oxazol-2-yl]ethanamine
CID 105454374
3-[4-(2-aminoethyl)-1,3-oxazol-2-yl]phenol
CID 115084355
3-[5-(3-aminopropyl)-1,3,4-oxadiazol-2-yl]phenol
CID 62071460
[4-(3-fluorophenyl)-1,3-oxazol-2-yl]methanamine
CID 105445734
3-[3-(2-hydroxyethyl)phenyl]phenol
CID 11413238
3-(4-cyclopentyl-1,3-oxazol-2-yl)propan-1-ol
CID 115020265
3-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-ol
CID 82127841

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-hydroxypropyl)-1,3-oxazol-4-yl]phenol?
The IUPAC name of 3-[2-(3-hydroxypropyl)-1,3-oxazol-4-yl]phenol (CID 115031213) is 3-[2-(3-hydroxypropyl)-1,3-oxazol-4-yl]phenol.
What is the SMILES notation for 3-[2-(3-hydroxypropyl)-1,3-oxazol-4-yl]phenol?
The canonical SMILES for 3-[2-(3-hydroxypropyl)-1,3-oxazol-4-yl]phenol is OCCCc1nc(-c2cccc(O)c2)co1.
What is the InChIKey of 3-[2-(3-hydroxypropyl)-1,3-oxazol-4-yl]phenol?
The InChIKey is AYRSDPSYRAAAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c14-6-2-5-12-13-11(8-16-12)9-3-1-4-10(15)7-9/h1,3-4,7-8,14-15H,2,5-6H2.
What are the key properties of 3-[2-(3-hydroxypropyl)-1,3-oxazol-4-yl]phenol?
3-[2-(3-hydroxypropyl)-1,3-oxazol-4-yl]phenol has a molecular weight of 219.24 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-hydroxypropyl)-1,3-oxazol-4-yl]phenol is sourced from PubChem (CID 115031213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).