2-(1,8-naphthyridin-2-yl)-4-phenyl-4,5-dihydro-1,3-oxazole

C17H13N3O — CID 154729036

IUPAC2-(1,8-naphthyridin-2-yl)-4-phenyl-4,5-dihydro-1,3-oxazole
SMILESc1ccc(C2COC(c3ccc4cccnc4n3)=N2)cc1
InChIInChI=1S/C17H13N3O/c1-2-5-12(6-3-1)15-11-21-17(20-15)14-9-8-13-7-4-10-18-16(13)19-14/h1-10,15H,11H2
InChIKeyODFMTYMZEIXBHW-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.15
Rot. Bonds2

About 2-(1,8-naphthyridin-2-yl)-4-phenyl-4,5-dihydro-1,3-oxazole

2-(1,8-naphthyridin-2-yl)-4-phenyl-4,5-dihydro-1,3-oxazole (PubChem CID 154729036) has the molecular formula C17H13N3O and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-(1,8-naphthyridin-2-yl)-4-phenyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(1,8-naphthyridin-2-yl)-4-phenyl-4,5-dihydro-1,3-oxazole
PubChem CID154729036
Molecular FormulaC17H13N3O
Molecular Weight275.31 g/mol
Exact Mass275.11
IUPAC Name2-(1,8-naphthyridin-2-yl)-4-phenyl-4,5-dihydro-1,3-oxazole
SMILESc1ccc(C2COC(c3ccc4cccnc4n3)=N2)cc1
InChIInChI=1S/C17H13N3O/c1-2-5-12(6-3-1)15-11-21-17(20-15)14-9-8-13-7-4-10-18-16(13)19-14/h1-10,15H,11H2
InChIKeyODFMTYMZEIXBHW-UHFFFAOYSA-N
XLogP3.15
TPSA47.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-2-(1,8-naphthyridin-2-yl)-4,5-dihydro-1,3-oxazole
CID 154729884
(4S,5S)-2-(1,8-naphthyridin-2-yl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 155289797
(4S,5R)-2-(1,8-naphthyridin-2-yl)-4,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 154729199
2-naphthalen-2-yl-4-phenyl-4,5-dihydro-1,3-oxazole
CID 14919448
(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
2-[6-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]phenol
CID 137086219
6-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyridine-2-carbonitrile
CID 100993952
(4S)-4-phenyl-2-pyridin-3-yl-4,5-dihydro-1,3-oxazole
CID 164886351
(4S)-4-phenyl-2-[6-[(4S)-4-phenyl-5,6-dihydro-4H-1,3-oxazin-2-yl]-2-pyridinyl]-5,6-dihydro-4H-1,3-oxazine
CID 102182088
CID 72964471
CID 72964471
(2S)-3,3-dimethyl-2-[6-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]butan-2-ol
CID 10568003
(4S)-4-phenyl-2-[5-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]acridin-4-yl]-4,5-dihydro-1,3-oxazole
CID 170899160

Frequently Asked Questions

What is the IUPAC name of 2-(1,8-naphthyridin-2-yl)-4-phenyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(1,8-naphthyridin-2-yl)-4-phenyl-4,5-dihydro-1,3-oxazole (CID 154729036) is 2-(1,8-naphthyridin-2-yl)-4-phenyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(1,8-naphthyridin-2-yl)-4-phenyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(1,8-naphthyridin-2-yl)-4-phenyl-4,5-dihydro-1,3-oxazole is c1ccc(C2COC(c3ccc4cccnc4n3)=N2)cc1.
What is the InChIKey of 2-(1,8-naphthyridin-2-yl)-4-phenyl-4,5-dihydro-1,3-oxazole?
The InChIKey is ODFMTYMZEIXBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O/c1-2-5-12(6-3-1)15-11-21-17(20-15)14-9-8-13-7-4-10-18-16(13)19-14/h1-10,15H,11H2.
What are the key properties of 2-(1,8-naphthyridin-2-yl)-4-phenyl-4,5-dihydro-1,3-oxazole?
2-(1,8-naphthyridin-2-yl)-4-phenyl-4,5-dihydro-1,3-oxazole has a molecular weight of 275.31 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,8-naphthyridin-2-yl)-4-phenyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 154729036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).