(2-methoxy-3-pyridinyl)-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methanone

C23H19N3O3 — CID 26319497

IUPAC(2-methoxy-3-pyridinyl)-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methanone
SMILESCOc1ncccc1C(=O)N1CCc2onc(-c3cccc4ccccc34)c2C1
InChIInChI=1S/C23H19N3O3/c1-28-22-18(10-5-12-24-22)23(27)26-13-11-20-19(14-26)21(25-29-20)17-9-4-7-15-6-2-3-8-16(15)17/h2-10,12H,11,13-14H2,1H3
InChIKeyVKGKNQQGYWBZQD-UHFFFAOYSA-N
MW385.42 g/mol
LogP4.10
Rot. Bonds3

About (2-methoxy-3-pyridinyl)-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methanone

(2-methoxy-3-pyridinyl)-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methanone (PubChem CID 26319497) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is (2-methoxy-3-pyridinyl)-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name(2-methoxy-3-pyridinyl)-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methanone
PubChem CID26319497
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Name(2-methoxy-3-pyridinyl)-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methanone
SMILESCOc1ncccc1C(=O)N1CCc2onc(-c3cccc4ccccc34)c2C1
InChIInChI=1S/C23H19N3O3/c1-28-22-18(10-5-12-24-22)23(27)26-13-11-20-19(14-26)21(25-29-20)17-9-4-7-15-6-2-3-8-16(15)17/h2-10,12H,11,13-14H2,1H3
InChIKeyVKGKNQQGYWBZQD-UHFFFAOYSA-N
XLogP4.10
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-methoxy-3-pyridinyl)-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methanone?
The IUPAC name of (2-methoxy-3-pyridinyl)-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methanone (CID 26319497) is (2-methoxy-3-pyridinyl)-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methanone.
What is the SMILES notation for (2-methoxy-3-pyridinyl)-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methanone?
The canonical SMILES for (2-methoxy-3-pyridinyl)-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methanone is COc1ncccc1C(=O)N1CCc2onc(-c3cccc4ccccc34)c2C1.
What is the InChIKey of (2-methoxy-3-pyridinyl)-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methanone?
The InChIKey is VKGKNQQGYWBZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c1-28-22-18(10-5-12-24-22)23(27)26-13-11-20-19(14-26)21(25-29-20)17-9-4-7-15-6-2-3-8-16(15)17/h2-10,12H,11,13-14H2,1H3.
What are the key properties of (2-methoxy-3-pyridinyl)-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methanone?
(2-methoxy-3-pyridinyl)-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methanone has a molecular weight of 385.42 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-3-pyridinyl)-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methanone is sourced from PubChem (CID 26319497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).