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

C23H25N3O2 — CID 56757044

IUPAC2-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCCC1)N1CCc2onc(-c3cccc4ccccc34)c2C1
InChIInChI=1S/C23H25N3O2/c1-16(23(27)25-12-4-5-13-25)26-14-11-21-20(15-26)22(24-28-21)19-10-6-8-17-7-2-3-9-18(17)19/h2-3,6-10,16H,4-5,11-15H2,1H3
InChIKeyJUXDORRIGYCAQV-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.86
Rot. Bonds3

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

2-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 56757044) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 2-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-1-pyrrolidin-1-ylpropan-1-one
PubChem CID56757044
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name2-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCCC1)N1CCc2onc(-c3cccc4ccccc34)c2C1
InChIInChI=1S/C23H25N3O2/c1-16(23(27)25-12-4-5-13-25)26-14-11-21-20(15-26)22(24-28-21)19-10-6-8-17-7-2-3-9-18(17)19/h2-3,6-10,16H,4-5,11-15H2,1H3
InChIKeyJUXDORRIGYCAQV-UHFFFAOYSA-N
XLogP3.86
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-N-propan-2-ylpropanamide
CID 56760539
(2S)-2-amino-1-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)pentan-1-one
CID 56869264
[2-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]urea
CID 56759573
2-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)propane-1,3-diol
CID 56738395
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
4,4,4-trifluoro-1-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)butan-1-one
CID 42591648
(4-methyl-1H-pyrrol-2-yl)-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 56868970
2-[3-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propanoic acid
CID 56739987
2,2-dimethyl-6-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carbonyl)-3H-pyran-4-one
CID 25449437
3-[(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methyl]phenol
CID 56750844
(2R)-1-[3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-2-morpholin-4-ylpropan-1-one
CID 95209327
2-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 114524003

Frequently Asked Questions

What is the IUPAC name of 2-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-1-pyrrolidin-1-ylpropan-1-one (CID 56757044) is 2-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-1-pyrrolidin-1-ylpropan-1-one is CC(C(=O)N1CCCC1)N1CCc2onc(-c3cccc4ccccc34)c2C1.
What is the InChIKey of 2-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is JUXDORRIGYCAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-16(23(27)25-12-4-5-13-25)26-14-11-21-20(15-26)22(24-28-21)19-10-6-8-17-7-2-3-9-18(17)19/h2-3,6-10,16H,4-5,11-15H2,1H3.
What are the key properties of 2-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-1-pyrrolidin-1-ylpropan-1-one?
2-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 375.47 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 56757044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).