1-[3-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-3-oxopropyl]piperidin-2-one

C24H25N3O3 — CID 42158190

IUPAC1-[3-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-3-oxopropyl]piperidin-2-one
SMILESO=C1CCCCN1CCC(=O)N1CCc2onc(-c3cccc4ccccc34)c2C1
InChIInChI=1S/C24H25N3O3/c28-22-10-3-4-13-26(22)15-12-23(29)27-14-11-21-20(16-27)24(25-30-21)19-9-5-7-17-6-1-2-8-18(17)19/h1-2,5-9H,3-4,10-16H2
InChIKeyMPRONFWEELVMKE-UHFFFAOYSA-N
MW403.48 g/mol
LogP3.78
Rot. Bonds4

About 1-[3-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-3-oxopropyl]piperidin-2-one

1-[3-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-3-oxopropyl]piperidin-2-one (PubChem CID 42158190) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is 1-[3-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-3-oxopropyl]piperidin-2-one.

Molecular Properties

Compound Name1-[3-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-3-oxopropyl]piperidin-2-one
PubChem CID42158190
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name1-[3-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-3-oxopropyl]piperidin-2-one
SMILESO=C1CCCCN1CCC(=O)N1CCc2onc(-c3cccc4ccccc34)c2C1
InChIInChI=1S/C24H25N3O3/c28-22-10-3-4-13-26(22)15-12-23(29)27-14-11-21-20(16-27)24(25-30-21)19-9-5-7-17-6-1-2-8-18(17)19/h1-2,5-9H,3-4,10-16H2
InChIKeyMPRONFWEELVMKE-UHFFFAOYSA-N
XLogP3.78
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-3-oxopropyl]piperidin-2-one?
The IUPAC name of 1-[3-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-3-oxopropyl]piperidin-2-one (CID 42158190) is 1-[3-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-3-oxopropyl]piperidin-2-one.
What is the SMILES notation for 1-[3-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-3-oxopropyl]piperidin-2-one?
The canonical SMILES for 1-[3-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-3-oxopropyl]piperidin-2-one is O=C1CCCCN1CCC(=O)N1CCc2onc(-c3cccc4ccccc34)c2C1.
What is the InChIKey of 1-[3-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-3-oxopropyl]piperidin-2-one?
The InChIKey is MPRONFWEELVMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c28-22-10-3-4-13-26(22)15-12-23(29)27-14-11-21-20(16-27)24(25-30-21)19-9-5-7-17-6-1-2-8-18(17)19/h1-2,5-9H,3-4,10-16H2.
What are the key properties of 1-[3-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-3-oxopropyl]piperidin-2-one?
1-[3-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-3-oxopropyl]piperidin-2-one has a molecular weight of 403.48 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-3-oxopropyl]piperidin-2-one is sourced from PubChem (CID 42158190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).