5-[(5-ethyl-2-pyridinyl)methyl]-3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine

C24H23N3O — CID 56740436

IUPAC5-[(5-ethyl-2-pyridinyl)methyl]-3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESCCc1ccc(CN2CCc3onc(-c4cccc5ccccc45)c3C2)nc1
InChIInChI=1S/C24H23N3O/c1-2-17-10-11-19(25-14-17)15-27-13-12-23-22(16-27)24(26-28-23)21-9-5-7-18-6-3-4-8-20(18)21/h3-11,14H,2,12-13,15-16H2,1H3
InChIKeyYEGCUOGIMSTFSI-UHFFFAOYSA-N
MW369.47 g/mol
LogP5.01
Rot. Bonds4

About 5-[(5-ethyl-2-pyridinyl)methyl]-3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine

5-[(5-ethyl-2-pyridinyl)methyl]-3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (PubChem CID 56740436) has the molecular formula C24H23N3O and a molecular weight of 369.47 g/mol. Its IUPAC name is 5-[(5-ethyl-2-pyridinyl)methyl]-3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name5-[(5-ethyl-2-pyridinyl)methyl]-3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
PubChem CID56740436
Molecular FormulaC24H23N3O
Molecular Weight369.47 g/mol
Exact Mass369.18
IUPAC Name5-[(5-ethyl-2-pyridinyl)methyl]-3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESCCc1ccc(CN2CCc3onc(-c4cccc5ccccc45)c3C2)nc1
InChIInChI=1S/C24H23N3O/c1-2-17-10-11-19(25-14-17)15-27-13-12-23-22(16-27)24(26-28-23)21-9-5-7-18-6-3-4-8-20(18)21/h3-11,14H,2,12-13,15-16H2,1H3
InChIKeyYEGCUOGIMSTFSI-UHFFFAOYSA-N
XLogP5.01
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.47
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[(5-ethyl-2-pyridinyl)methyl]-3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine with MolForge

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Related Compounds

5-Methyl-3-phenyl-6-pyridin-4-yl-[1,2]oxazolo[4,5-c]pyridin-4-one
CID 22015566
5-methyl-6-phenyl-3-(pyridin-2-yl)isoxazolo[4,5-c]pyridin-4(5H)-one
CID 23579324
(R)-4-(3-(isoquinolin-6-yl)isoxazol-5-yl)-1-(4-(trifluoromethyl)phenyl)butan-2-amine
CID 46880294
7-(4-Methyl-3-pyridinyl)-3-phenyl-1,2-benzoxazole
CID 71515497
3-(4-Fluorophenyl)-7-(4-methyl-3-pyridinyl)-1,2-benzoxazole
CID 71544317
5-[(5-Methyl-3-pyridinyl)methyl]-3-phenyl-1,2-oxazole
CID 137651298
5-methyl-3-phenyl-N,N-bis(2-pyridinylmethyl)-4-isoxazolecarboxamide
CID 2738482
US10745401, Example 84
CID 146641085
US10745401, Example 87
CID 146641086
US10745401, Example 135
CID 146641506
US10745401, Example 152
CID 146641511
US10745401, Example 128
CID 146343643

Frequently Asked Questions

What is the IUPAC name of 5-[(5-ethyl-2-pyridinyl)methyl]-3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The IUPAC name of 5-[(5-ethyl-2-pyridinyl)methyl]-3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (CID 56740436) is 5-[(5-ethyl-2-pyridinyl)methyl]-3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 5-[(5-ethyl-2-pyridinyl)methyl]-3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The canonical SMILES for 5-[(5-ethyl-2-pyridinyl)methyl]-3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is CCc1ccc(CN2CCc3onc(-c4cccc5ccccc45)c3C2)nc1.
What is the InChIKey of 5-[(5-ethyl-2-pyridinyl)methyl]-3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The InChIKey is YEGCUOGIMSTFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O/c1-2-17-10-11-19(25-14-17)15-27-13-12-23-22(16-27)24(26-28-23)21-9-5-7-18-6-3-4-8-20(18)21/h3-11,14H,2,12-13,15-16H2,1H3.
What are the key properties of 5-[(5-ethyl-2-pyridinyl)methyl]-3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
5-[(5-ethyl-2-pyridinyl)methyl]-3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine has a molecular weight of 369.47 g/mol, XLogP of 5.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-ethyl-2-pyridinyl)methyl]-3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 56740436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).