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

C14H12N2O — CID 164886351

IUPAC(4S)-4-phenyl-2-pyridin-3-yl-4,5-dihydro-1,3-oxazole
SMILESc1ccc([C@H]2COC(c3cccnc3)=N2)cc1
InChIInChI=1S/C14H12N2O/c1-2-5-11(6-3-1)13-10-17-14(16-13)12-7-4-8-15-9-12/h1-9,13H,10H2/t13-/m1/s1
InChIKeySOEPDGYKUBCZLM-CYBMUJFWSA-N
MW224.26 g/mol
LogP2.60
Rot. Bonds2

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

(4S)-4-phenyl-2-pyridin-3-yl-4,5-dihydro-1,3-oxazole (PubChem CID 164886351) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is (4S)-4-phenyl-2-pyridin-3-yl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-phenyl-2-pyridin-3-yl-4,5-dihydro-1,3-oxazole
PubChem CID164886351
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name(4S)-4-phenyl-2-pyridin-3-yl-4,5-dihydro-1,3-oxazole
SMILESc1ccc([C@H]2COC(c3cccnc3)=N2)cc1
InChIInChI=1S/C14H12N2O/c1-2-5-11(6-3-1)13-10-17-14(16-13)12-7-4-8-15-9-12/h1-9,13H,10H2/t13-/m1/s1
InChIKeySOEPDGYKUBCZLM-CYBMUJFWSA-N
XLogP2.60
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-phenyl-2-[5-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-3-pyridinyl]-4,5-dihydro-1,3-oxazole
CID 166067950
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
(4R)-4-phenyl-2-(2-pyridin-3-yloxy-3-pyridinyl)-4,5-dihydro-1,3-oxazole
CID 54058776
2-naphthalen-2-yl-4-phenyl-4,5-dihydro-1,3-oxazole
CID 14919448
2-(2,6-difluorophenyl)-4-(4-phenylphenyl)-4,5-dihydro-1,3-oxazole
CID 15007837
CID 72964471
CID 72964471
(4R)-4-phenyl-2-[11-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-10-tetracyclo[6.4.0.04,12.05,9]dodec-10-enyl]-4,5-dihydro-1,3-oxazole
CID 101386692
(4S)-2-[2-(4-tert-butylphenyl)phenyl]-4-phenyl-4,5-dihydro-1,3-oxazole
CID 138551056
(4S)-4-(4-phenylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 24966828
3,5-diphenyl-2,3-dihydro-1,4-oxazin-6-one
CID 15206016
2-(1,8-naphthyridin-2-yl)-4-phenyl-4,5-dihydro-1,3-oxazole
CID 154729036
N-[4-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]acetamide
CID 25010935

Frequently Asked Questions

What is the IUPAC name of (4S)-4-phenyl-2-pyridin-3-yl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-phenyl-2-pyridin-3-yl-4,5-dihydro-1,3-oxazole (CID 164886351) is (4S)-4-phenyl-2-pyridin-3-yl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-phenyl-2-pyridin-3-yl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-phenyl-2-pyridin-3-yl-4,5-dihydro-1,3-oxazole is c1ccc([C@H]2COC(c3cccnc3)=N2)cc1.
What is the InChIKey of (4S)-4-phenyl-2-pyridin-3-yl-4,5-dihydro-1,3-oxazole?
The InChIKey is SOEPDGYKUBCZLM-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H12N2O/c1-2-5-11(6-3-1)13-10-17-14(16-13)12-7-4-8-15-9-12/h1-9,13H,10H2/t13-/m1/s1.
What are the key properties of (4S)-4-phenyl-2-pyridin-3-yl-4,5-dihydro-1,3-oxazole?
(4S)-4-phenyl-2-pyridin-3-yl-4,5-dihydro-1,3-oxazole has a molecular weight of 224.26 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-phenyl-2-pyridin-3-yl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 164886351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).