3-(4,5-dihydro-1,3-oxazol-2-yl)phenol

C18H18N2O4 — CID 139059691

IUPAC3-(4,5-dihydro-1,3-oxazol-2-yl)phenol
SMILESOc1cccc(C2=NCCO2)c1.Oc1cccc(C2=NCCO2)c1
InChIInChI=1S/2C9H9NO2/c2*11-8-3-1-2-7(6-8)9-10-4-5-12-9/h2*1-3,6,11H,4-5H2
InChIKeyYAKCRQYMWYZTCW-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.34
Rot. Bonds2

About 3-(4,5-dihydro-1,3-oxazol-2-yl)phenol

3-(4,5-dihydro-1,3-oxazol-2-yl)phenol (PubChem CID 139059691) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 3-(4,5-dihydro-1,3-oxazol-2-yl)phenol.

Molecular Properties

Compound Name3-(4,5-dihydro-1,3-oxazol-2-yl)phenol
PubChem CID139059691
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name3-(4,5-dihydro-1,3-oxazol-2-yl)phenol
SMILESOc1cccc(C2=NCCO2)c1.Oc1cccc(C2=NCCO2)c1
InChIInChI=1S/2C9H9NO2/c2*11-8-3-1-2-7(6-8)9-10-4-5-12-9/h2*1-3,6,11H,4-5H2
InChIKeyYAKCRQYMWYZTCW-UHFFFAOYSA-N
XLogP2.34
TPSA83.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-[4,6-bis[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4,5-dihydro-1,3-oxazole
CID 135250784
4-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]phenol
CID 136740069
2-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
CID 67984069
1-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]propan-2-one
CID 84671437
5-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1,2-oxazol-3-amine
CID 117330160
3-(4,5-dihydro-1,3-oxazol-2-yl)-N-propan-2-ylbenzamide
CID 173139178
3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenol
CID 12867078
1-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]cyclohexane-1-carboxylic acid
CID 117435897
5-(4,5-dihydro-1,3-oxazol-2-yl)-2-benzofuran-1,3-dione
CID 174772569
2-[4-[3-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]phenoxy]phenyl]-4,5-dihydro-1,3-oxazole
CID 139743368
1-[2-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]ethyl]cyclopropan-1-amine
CID 105488447
2-[3-[17-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-5-yl]phenyl]-4,5-dihydro-1,3-oxazole
CID 140889239

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dihydro-1,3-oxazol-2-yl)phenol?
The IUPAC name of 3-(4,5-dihydro-1,3-oxazol-2-yl)phenol (CID 139059691) is 3-(4,5-dihydro-1,3-oxazol-2-yl)phenol.
What is the SMILES notation for 3-(4,5-dihydro-1,3-oxazol-2-yl)phenol?
The canonical SMILES for 3-(4,5-dihydro-1,3-oxazol-2-yl)phenol is Oc1cccc(C2=NCCO2)c1.Oc1cccc(C2=NCCO2)c1.
What is the InChIKey of 3-(4,5-dihydro-1,3-oxazol-2-yl)phenol?
The InChIKey is YAKCRQYMWYZTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H9NO2/c2*11-8-3-1-2-7(6-8)9-10-4-5-12-9/h2*1-3,6,11H,4-5H2.
What are the key properties of 3-(4,5-dihydro-1,3-oxazol-2-yl)phenol?
3-(4,5-dihydro-1,3-oxazol-2-yl)phenol has a molecular weight of 326.35 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dihydro-1,3-oxazol-2-yl)phenol is sourced from PubChem (CID 139059691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).