(4S)-4-(3,5-dimethylphenyl)-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole

C16H16N2O — CID 175202184

IUPAC(4S)-4-(3,5-dimethylphenyl)-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole
SMILESCc1cc(C)cc([C@H]2COC(c3ccccn3)=N2)c1
InChIInChI=1S/C16H16N2O/c1-11-7-12(2)9-13(8-11)15-10-19-16(18-15)14-5-3-4-6-17-14/h3-9,15H,10H2,1-2H3/t15-/m1/s1
InChIKeyUGAPQORPFJCEHP-OAHLLOKOSA-N
MW252.32 g/mol
LogP3.22
Rot. Bonds2

About (4S)-4-(3,5-dimethylphenyl)-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole

(4S)-4-(3,5-dimethylphenyl)-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole (PubChem CID 175202184) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is (4S)-4-(3,5-dimethylphenyl)-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-(3,5-dimethylphenyl)-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole
PubChem CID175202184
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name(4S)-4-(3,5-dimethylphenyl)-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole
SMILESCc1cc(C)cc([C@H]2COC(c3ccccn3)=N2)c1
InChIInChI=1S/C16H16N2O/c1-11-7-12(2)9-13(8-11)15-10-19-16(18-15)14-5-3-4-6-17-14/h3-9,15H,10H2,1-2H3/t15-/m1/s1
InChIKeyUGAPQORPFJCEHP-OAHLLOKOSA-N
XLogP3.22
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-tert-butyl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole
CID 101039596
(4S)-4-propan-2-yl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole
CID 10987065
CID 16689738
CID 16689738
12,25-diphenyl-4,7,17,20-tetraoxa-28,29,31,32-tetrazaheptacyclo[21.3.1.12,5.16,9.110,14.115,18.119,22]dotriaconta-1(27),5(32),6(31),10(30),11,13,18(29),19(28),23,25-decaene
CID 166018407
4-(4-methylphenyl)-2-[3-[4-(4-methylphenyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,5-dihydro-1,3-oxazole
CID 67533219
(4R)-2-[4-chloro-6-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4-phenyl-4,5-dihydro-1,3-oxazole
CID 101488940
6-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyridine-2-carbonitrile
CID 100993952
(4R)-4-tert-butyl-2-(6-pyridin-2-yl-2-pyridinyl)-4,5-dihydro-1,3-oxazole
CID 154729949
(2S)-3,3-dimethyl-2-[6-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]butan-2-ol
CID 10568003
2-[3-[3-(3,5-dipyridin-2-ylphenyl)-5-methylphenyl]-5-pyridin-2-ylphenyl]pyridine
CID 58556429
2-[6-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]phenol
CID 137086219
4-(2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)aniline
CID 89120771

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(3,5-dimethylphenyl)-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-(3,5-dimethylphenyl)-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole (CID 175202184) is (4S)-4-(3,5-dimethylphenyl)-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-(3,5-dimethylphenyl)-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-(3,5-dimethylphenyl)-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole is Cc1cc(C)cc([C@H]2COC(c3ccccn3)=N2)c1.
What is the InChIKey of (4S)-4-(3,5-dimethylphenyl)-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole?
The InChIKey is UGAPQORPFJCEHP-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H16N2O/c1-11-7-12(2)9-13(8-11)15-10-19-16(18-15)14-5-3-4-6-17-14/h3-9,15H,10H2,1-2H3/t15-/m1/s1.
What are the key properties of (4S)-4-(3,5-dimethylphenyl)-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole?
(4S)-4-(3,5-dimethylphenyl)-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole has a molecular weight of 252.32 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(3,5-dimethylphenyl)-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 175202184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).