4-[(5R)-3-(N-ethylanilino)-4,5-dihydro-1,2-oxazol-5-yl]phenol

C17H18N2O2 — CID 88979546

IUPAC4-[(5R)-3-(N-ethylanilino)-4,5-dihydro-1,2-oxazol-5-yl]phenol
SMILESCCN(C1=NO[C@@H](c2ccc(O)cc2)C1)c1ccccc1
InChIInChI=1S/C17H18N2O2/c1-2-19(14-6-4-3-5-7-14)17-12-16(21-18-17)13-8-10-15(20)11-9-13/h3-11,16,20H,2,12H2,1H3/t16-/m1/s1
InChIKeyFNIUBQJCDORIGZ-MRXNPFEDSA-N
MW282.34 g/mol
LogP3.69
Rot. Bonds3

About 4-[(5R)-3-(N-ethylanilino)-4,5-dihydro-1,2-oxazol-5-yl]phenol

4-[(5R)-3-(N-ethylanilino)-4,5-dihydro-1,2-oxazol-5-yl]phenol (PubChem CID 88979546) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 4-[(5R)-3-(N-ethylanilino)-4,5-dihydro-1,2-oxazol-5-yl]phenol.

Molecular Properties

Compound Name4-[(5R)-3-(N-ethylanilino)-4,5-dihydro-1,2-oxazol-5-yl]phenol
PubChem CID88979546
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name4-[(5R)-3-(N-ethylanilino)-4,5-dihydro-1,2-oxazol-5-yl]phenol
SMILESCCN(C1=NO[C@@H](c2ccc(O)cc2)C1)c1ccccc1
InChIInChI=1S/C17H18N2O2/c1-2-19(14-6-4-3-5-7-14)17-12-16(21-18-17)13-8-10-15(20)11-9-13/h3-11,16,20H,2,12H2,1H3/t16-/m1/s1
InChIKeyFNIUBQJCDORIGZ-MRXNPFEDSA-N
XLogP3.69
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(5R)-3-(N-ethylanilino)-4,5-dihydro-1,2-oxazol-5-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(5R)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]phenol
CID 143618145
(5S)-N',N',5-triphenyl-4,5-dihydro-1,2-oxazole-3-carbohydrazide
CID 95062084
4-[N-[2-(N-(4-hydroxyphenyl)anilino)ethyl]anilino]phenol
CID 58759192
(2S)-2-ethoxy-3-[3-[5-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]propanoic acid
CID 25116251
(5S)-3-bromo-5-phenyl-4,5-dihydro-1,2-oxazole;(5R)-3-bromo-5-phenyl-4,5-dihydro-1,2-oxazole
CID 159139120
N-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)acetamide
CID 121221970
3-(N-ethylanilino)-2-methylphenol
CID 68824539
(5R)-5-phenyl-3-propan-2-yl-4,5-dihydro-1,2-oxazole
CID 15939754
ethyl (5-phenyl-4,5-dihydro-1,2-oxazol-3-yl) carbonate
CID 23064923
3-N-ethyl-3-N-phenyl-2H-1,4-benzoxazine-3,6-diamine
CID 82368087
2-(4-methoxyphenyl)-N,N-diphenyl-2,3-dihydro-1,5-benzoxazepin-4-amine
CID 11327614
3-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)propanoic acid
CID 155819586

Frequently Asked Questions

What is the IUPAC name of 4-[(5R)-3-(N-ethylanilino)-4,5-dihydro-1,2-oxazol-5-yl]phenol?
The IUPAC name of 4-[(5R)-3-(N-ethylanilino)-4,5-dihydro-1,2-oxazol-5-yl]phenol (CID 88979546) is 4-[(5R)-3-(N-ethylanilino)-4,5-dihydro-1,2-oxazol-5-yl]phenol.
What is the SMILES notation for 4-[(5R)-3-(N-ethylanilino)-4,5-dihydro-1,2-oxazol-5-yl]phenol?
The canonical SMILES for 4-[(5R)-3-(N-ethylanilino)-4,5-dihydro-1,2-oxazol-5-yl]phenol is CCN(C1=NO[C@@H](c2ccc(O)cc2)C1)c1ccccc1.
What is the InChIKey of 4-[(5R)-3-(N-ethylanilino)-4,5-dihydro-1,2-oxazol-5-yl]phenol?
The InChIKey is FNIUBQJCDORIGZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-2-19(14-6-4-3-5-7-14)17-12-16(21-18-17)13-8-10-15(20)11-9-13/h3-11,16,20H,2,12H2,1H3/t16-/m1/s1.
What are the key properties of 4-[(5R)-3-(N-ethylanilino)-4,5-dihydro-1,2-oxazol-5-yl]phenol?
4-[(5R)-3-(N-ethylanilino)-4,5-dihydro-1,2-oxazol-5-yl]phenol has a molecular weight of 282.34 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5R)-3-(N-ethylanilino)-4,5-dihydro-1,2-oxazol-5-yl]phenol is sourced from PubChem (CID 88979546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).