2-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-N-propan-2-ylpropanamide

C22H25N3O2 — CID 56760539

IUPAC2-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)N1CCc2onc(-c3cccc4ccccc34)c2C1
InChIInChI=1S/C22H25N3O2/c1-14(2)23-22(26)15(3)25-12-11-20-19(13-25)21(24-27-20)18-10-6-8-16-7-4-5-9-17(16)18/h4-10,14-15H,11-13H2,1-3H3,(H,23,26)
InChIKeyHQNOBMWXNCOGLA-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.77
Rot. Bonds4

About 2-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-N-propan-2-ylpropanamide

2-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-N-propan-2-ylpropanamide (PubChem CID 56760539) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 2-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-N-propan-2-ylpropanamide
PubChem CID56760539
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name2-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)N1CCc2onc(-c3cccc4ccccc34)c2C1
InChIInChI=1S/C22H25N3O2/c1-14(2)23-22(26)15(3)25-12-11-20-19(13-25)21(24-27-20)18-10-6-8-16-7-4-5-9-17(16)18/h4-10,14-15H,11-13H2,1-3H3,(H,23,26)
InChIKeyHQNOBMWXNCOGLA-UHFFFAOYSA-N
XLogP3.77
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.77
H-Bond Donors ≤ 51
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)-1-pyrrolidin-1-ylpropan-1-one
CID 56757044
2-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)propane-1,3-diol
CID 56738395
[2-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]urea
CID 56759573
N-propan-2-yl-2-[3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propanamide
CID 56742144
(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-(2-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propanoic acid
CID 56739987
(2R)-N-methyl-2-[3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propanamide
CID 95394249
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
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-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
3-[(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)methyl]phenol
CID 56750844
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

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)-N-propan-2-ylpropanamide?
The IUPAC name of 2-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-N-propan-2-ylpropanamide (CID 56760539) is 2-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-N-propan-2-ylpropanamide?
The canonical SMILES for 2-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-N-propan-2-ylpropanamide is CC(C)NC(=O)C(C)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)-N-propan-2-ylpropanamide?
The InChIKey is HQNOBMWXNCOGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-14(2)23-22(26)15(3)25-12-11-20-19(13-25)21(24-27-20)18-10-6-8-16-7-4-5-9-17(16)18/h4-10,14-15H,11-13H2,1-3H3,(H,23,26).
What are the key properties of 2-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-N-propan-2-ylpropanamide?
2-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-N-propan-2-ylpropanamide has a molecular weight of 363.46 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 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)-N-propan-2-ylpropanamide is sourced from PubChem (CID 56760539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).