(5-ethyl-1,2-oxazol-3-yl)-[3-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-1-yl]methanone

C19H21N5O2 — CID 110237619

IUPAC(5-ethyl-1,2-oxazol-3-yl)-[3-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-1-yl]methanone
SMILESCCc1cc(C(=O)N2CCCC(c3nc(C)nc4ncccc34)C2)no1
InChIInChI=1S/C19H21N5O2/c1-3-14-10-16(23-26-14)19(25)24-9-5-6-13(11-24)17-15-7-4-8-20-18(15)22-12(2)21-17/h4,7-8,10,13H,3,5-6,9,11H2,1-2H3
InChIKeyZBAQJVZVNDXUHL-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.90
Rot. Bonds3

About (5-ethyl-1,2-oxazol-3-yl)-[3-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-1-yl]methanone

(5-ethyl-1,2-oxazol-3-yl)-[3-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-1-yl]methanone (PubChem CID 110237619) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is (5-ethyl-1,2-oxazol-3-yl)-[3-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-ethyl-1,2-oxazol-3-yl)-[3-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-1-yl]methanone
PubChem CID110237619
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name(5-ethyl-1,2-oxazol-3-yl)-[3-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-1-yl]methanone
SMILESCCc1cc(C(=O)N2CCCC(c3nc(C)nc4ncccc34)C2)no1
InChIInChI=1S/C19H21N5O2/c1-3-14-10-16(23-26-14)19(25)24-9-5-6-13(11-24)17-15-7-4-8-20-18(15)22-12(2)21-17/h4,7-8,10,13H,3,5-6,9,11H2,1-2H3
InChIKeyZBAQJVZVNDXUHL-UHFFFAOYSA-N
XLogP2.90
TPSA85.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2-methylcyclopropyl)-[3-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-1-yl]methanone
CID 110237617
1-[3-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-1-yl]-2-pyridin-2-ylethanone
CID 110237598
1-[(3S)-3-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 92564198
[(3S)-3-(3-amino-2H-pyrazolo[3,4-b]pyridin-6-yl)piperidin-1-yl]-(5-ethyl-1,2-oxazol-3-yl)methanone
CID 124972241
(5-ethyl-1,2-oxazol-3-yl)-[(3R)-3-[3-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]methanone
CID 92589040
[(3R)-3-[1-[2-(dimethylamino)ethyl]pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
CID 92590299
(5-ethyl-1,2-oxazol-3-yl)-[3-[6-propan-2-yl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methanone
CID 110235785
(3-methylpiperidin-1-yl)-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanone
CID 45185350
[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[5-[(2,6-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]methanone
CID 26392318
(5-propyl-1,2-oxazol-3-yl)-[3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methanone
CID 110118698
(5-ethyl-1,2-oxazol-3-yl)-[(3S)-3-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-1-yl]methanone
CID 92589047
(5-ethyl-1,2-oxazol-3-yl)-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone
CID 95550158

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-1,2-oxazol-3-yl)-[3-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-1-yl]methanone?
The IUPAC name of (5-ethyl-1,2-oxazol-3-yl)-[3-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-1-yl]methanone (CID 110237619) is (5-ethyl-1,2-oxazol-3-yl)-[3-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-ethyl-1,2-oxazol-3-yl)-[3-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-1-yl]methanone?
The canonical SMILES for (5-ethyl-1,2-oxazol-3-yl)-[3-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-1-yl]methanone is CCc1cc(C(=O)N2CCCC(c3nc(C)nc4ncccc34)C2)no1.
What is the InChIKey of (5-ethyl-1,2-oxazol-3-yl)-[3-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-1-yl]methanone?
The InChIKey is ZBAQJVZVNDXUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-3-14-10-16(23-26-14)19(25)24-9-5-6-13(11-24)17-15-7-4-8-20-18(15)22-12(2)21-17/h4,7-8,10,13H,3,5-6,9,11H2,1-2H3.
What are the key properties of (5-ethyl-1,2-oxazol-3-yl)-[3-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-1-yl]methanone?
(5-ethyl-1,2-oxazol-3-yl)-[3-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-1-yl]methanone has a molecular weight of 351.41 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-1,2-oxazol-3-yl)-[3-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 110237619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).