[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-oxazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone

C24H26N4O2 — CID 45218773

IUPAC[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-oxazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
SMILESO=C(c1coc(CN2CCc3ccccc3C2)n1)N1CCCCC1c1cccnc1
InChIInChI=1S/C24H26N4O2/c29-24(28-12-4-3-9-22(28)19-8-5-11-25-14-19)21-17-30-23(26-21)16-27-13-10-18-6-1-2-7-20(18)15-27/h1-2,5-8,11,14,17,22H,3-4,9-10,12-13,15-16H2
InChIKeyYTCPXHRFXNNDPP-UHFFFAOYSA-N
MW402.50 g/mol
LogP4.00
Rot. Bonds4

About [2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-oxazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone

[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-oxazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone (PubChem CID 45218773) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is [2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-oxazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-oxazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
PubChem CID45218773
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-oxazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
SMILESO=C(c1coc(CN2CCc3ccccc3C2)n1)N1CCCCC1c1cccnc1
InChIInChI=1S/C24H26N4O2/c29-24(28-12-4-3-9-22(28)19-8-5-11-25-14-19)21-17-30-23(26-21)16-27-13-10-18-6-1-2-7-20(18)15-27/h1-2,5-8,11,14,17,22H,3-4,9-10,12-13,15-16H2
InChIKeyYTCPXHRFXNNDPP-UHFFFAOYSA-N
XLogP4.00
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-oxazol-4-yl]-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 95204810
[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-oxazol-4-yl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 56707163
[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-oxazol-4-yl]-(1,2-oxazolidin-2-yl)methanone
CID 26394249
(2-methylpiperidin-1-yl)-[2-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone
CID 42856349
(5-phenyl-1,2-oxazol-3-yl)-[(2R)-2-pyridin-3-ylpiperidin-1-yl]methanone
CID 95708141
4-oxo-4-(2-pyridin-3-ylpiperidin-1-yl)butanoic acid;hydrochloride
CID 52993705
2-pyridin-3-ylpiperidine-1-carboxylic acid
CID 67067085
imidazo[1,2-a]pyridin-2-yl-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 53193496
imidazo[1,2-a]pyridin-2-yl-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methanone
CID 95111843
methyl 2-[(2S)-1-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-oxazole-4-carbonyl]-3-oxopiperazin-2-yl]acetate
CID 92641138
(3-ethyl-1,2-oxazol-5-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone
CID 45205865
[2-(aminomethyl)-1,3-thiazol-4-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 66375874

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-oxazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone?
The IUPAC name of [2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-oxazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone (CID 45218773) is [2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-oxazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-oxazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone?
The canonical SMILES for [2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-oxazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone is O=C(c1coc(CN2CCc3ccccc3C2)n1)N1CCCCC1c1cccnc1.
What is the InChIKey of [2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-oxazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone?
The InChIKey is YTCPXHRFXNNDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c29-24(28-12-4-3-9-22(28)19-8-5-11-25-14-19)21-17-30-23(26-21)16-27-13-10-18-6-1-2-7-20(18)15-27/h1-2,5-8,11,14,17,22H,3-4,9-10,12-13,15-16H2.
What are the key properties of [2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-oxazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone?
[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-oxazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone has a molecular weight of 402.50 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-oxazol-4-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 45218773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).