3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]propan-1-one

C21H24N4O2 — CID 155799614

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]propan-1-one
SMILESCc1noc(C)c1CCC(=O)N1CCC(c2ccc3cccnc3n2)CC1
InChIInChI=1S/C21H24N4O2/c1-14-18(15(2)27-24-14)6-8-20(26)25-12-9-16(10-13-25)19-7-5-17-4-3-11-22-21(17)23-19/h3-5,7,11,16H,6,8-10,12-13H2,1-2H3
InChIKeyMOPRBQGDMZUYED-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.57
Rot. Bonds4

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]propan-1-one

3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]propan-1-one (PubChem CID 155799614) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]propan-1-one
PubChem CID155799614
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]propan-1-one
SMILESCc1noc(C)c1CCC(=O)N1CCC(c2ccc3cccnc3n2)CC1
InChIInChI=1S/C21H24N4O2/c1-14-18(15(2)27-24-14)6-8-20(26)25-12-9-16(10-13-25)19-7-5-17-4-3-11-22-21(17)23-19/h3-5,7,11,16H,6,8-10,12-13H2,1-2H3
InChIKeyMOPRBQGDMZUYED-UHFFFAOYSA-N
XLogP3.57
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(6-chloro-1,8-naphthyridin-2-yl)piperidin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one
CID 163344936
1-[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 163344763
2-(3-methylphenyl)-1-[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]ethanone
CID 155942155
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]propan-1-one
CID 124982287
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)ethanone
CID 110132853
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]propan-1-one
CID 127246669
(4-methyl-1,3-thiazol-5-yl)-[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]methanone
CID 155980501
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]propan-1-one
CID 125013242
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(4S,5S)-4-hydroxy-5-pyridin-3-yloxyazepan-1-yl]propan-1-one
CID 110128584
cyclopentyl-[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]methanone
CID 155941699
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]propan-1-one
CID 25476995
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one
CID 110112458

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]propan-1-one (CID 155799614) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]propan-1-one is Cc1noc(C)c1CCC(=O)N1CCC(c2ccc3cccnc3n2)CC1.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]propan-1-one?
The InChIKey is MOPRBQGDMZUYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-14-18(15(2)27-24-14)6-8-20(26)25-12-9-16(10-13-25)19-7-5-17-4-3-11-22-21(17)23-19/h3-5,7,11,16H,6,8-10,12-13H2,1-2H3.
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]propan-1-one?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]propan-1-one has a molecular weight of 364.45 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 155799614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).