4-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]cyclohepta-1,3,6-trien-1-ol

C19H19NO2 — CID 143215403

IUPAC4-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]cyclohepta-1,3,6-trien-1-ol
SMILESOC1=CC=C(CCCc2cc(-c3ccccc3)no2)CC=C1
InChIInChI=1S/C19H19NO2/c21-17-10-4-6-15(12-13-17)7-5-11-18-14-19(20-22-18)16-8-2-1-3-9-16/h1-4,8-10,12-14,21H,5-7,11H2
InChIKeyFGBVEZZTXQRIDM-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.99
Rot. Bonds5

About 4-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]cyclohepta-1,3,6-trien-1-ol

4-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]cyclohepta-1,3,6-trien-1-ol (PubChem CID 143215403) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]cyclohepta-1,3,6-trien-1-ol.

Molecular Properties

Compound Name4-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]cyclohepta-1,3,6-trien-1-ol
PubChem CID143215403
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name4-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]cyclohepta-1,3,6-trien-1-ol
SMILESOC1=CC=C(CCCc2cc(-c3ccccc3)no2)CC=C1
InChIInChI=1S/C19H19NO2/c21-17-10-4-6-15(12-13-17)7-5-11-18-14-19(20-22-18)16-8-2-1-3-9-16/h1-4,8-10,12-14,21H,5-7,11H2
InChIKeyFGBVEZZTXQRIDM-UHFFFAOYSA-N
XLogP4.99
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-phenyl-1,2-oxazol-5-yl)butanoic acid
CID 102036434
5-hexyl-3-phenyl-1,2-oxazole
CID 15445646
(3-phenyl-1,2-oxazol-5-yl)methanesulfinic acid
CID 165450453
1-amino-N-methyl-N-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]cyclopropane-1-carboxamide
CID 119758810
4-[methyl-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]amino]butanoic acid
CID 119135167
(3-phenyl-1,2-oxazol-5-yl)methyl cyclopenta-1,3-diene-1-carboxylate
CID 130348153
2-methyl-2-[4-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]phenoxy]pentanoic acid
CID 69223571
N,N-dimethyl-1-(3-phenyl-1,2-oxazol-5-yl)methanamine
CID 15761396
5-(phenoxymethyl)-3-phenyl-1,2-oxazole
CID 1480808
2-[2-hydroxyethyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]ethanol
CID 62021320
2-[3-[5-(3-hydroxypropyl)-1,2-oxazol-3-yl]phenyl]acetic acid
CID 126722633
3-[(3-phenyl-1,2-oxazol-5-yl)methylsulfonyl]propan-1-ol
CID 111104978

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]cyclohepta-1,3,6-trien-1-ol?
The IUPAC name of 4-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]cyclohepta-1,3,6-trien-1-ol (CID 143215403) is 4-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]cyclohepta-1,3,6-trien-1-ol.
What is the SMILES notation for 4-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]cyclohepta-1,3,6-trien-1-ol?
The canonical SMILES for 4-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]cyclohepta-1,3,6-trien-1-ol is OC1=CC=C(CCCc2cc(-c3ccccc3)no2)CC=C1.
What is the InChIKey of 4-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]cyclohepta-1,3,6-trien-1-ol?
The InChIKey is FGBVEZZTXQRIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c21-17-10-4-6-15(12-13-17)7-5-11-18-14-19(20-22-18)16-8-2-1-3-9-16/h1-4,8-10,12-14,21H,5-7,11H2.
What are the key properties of 4-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]cyclohepta-1,3,6-trien-1-ol?
4-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]cyclohepta-1,3,6-trien-1-ol has a molecular weight of 293.37 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-phenyl-1,2-oxazol-5-yl)propyl]cyclohepta-1,3,6-trien-1-ol is sourced from PubChem (CID 143215403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).