ethane;4-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one

C15H20N4O2 — CID 123908456

IUPACethane;4-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESCC.Cc1cc(CCc2ncnc3c2CCC(=O)N3)on1
InChIInChI=1S/C13H14N4O2.C2H6/c1-8-6-9(19-17-8)2-4-11-10-3-5-12(18)16-13(10)15-7-14-11;1-2/h6-7H,2-5H2,1H3,(H,14,15,16,18);1-2H3
InChIKeyCLPLEXQVEBUUEE-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.47
Rot. Bonds3

About ethane;4-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one

ethane;4-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 123908456) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is ethane;4-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Nameethane;4-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID123908456
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Nameethane;4-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESCC.Cc1cc(CCc2ncnc3c2CCC(=O)N3)on1
InChIInChI=1S/C13H14N4O2.C2H6/c1-8-6-9(19-17-8)2-4-11-10-3-5-12(18)16-13(10)15-7-14-11;1-2/h6-7H,2-5H2,1H3,(H,14,15,16,18);1-2H3
InChIKeyCLPLEXQVEBUUEE-UHFFFAOYSA-N
XLogP2.47
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-[2-(3,5-Dimethyl-1,2-oxazol-4-YL)ethyl]-4-methyl-5H,6H,7H,8H-pyrido[2,3-D]pyrimidin-7-one
CID 53193750
N,N-dimethyl-6-[(5-methyl-1,2-oxazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 86773059
5-methyl-3-[(2S)-1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]-1,2-oxazole
CID 97852547
4-[3-(3-propanoyl-1,2-oxazol-5-yl)butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 58182553
4-[3-[3-(3H-pyrrol-2-yl)-1,2-oxazol-5-yl]propanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 58182556
4-[(3S)-3-[3-(3H-pyrrol-2-yl)-1,2-oxazol-5-yl]butanoyl]-8H-pyrido[2,3-d]pyrimidin-7-one
CID 58182562
4-[(3S)-3-[3-(2-methyl-7H-pyrrolo[3,2-d]pyrimidin-6-yl)-1,2-oxazol-5-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 58182572
ethyl 5-[(2S)-4-oxo-4-(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-4-yl)butan-2-yl]-1,2-oxazole-3-carboxylate
CID 58182581
4-[2-[3-(3H-indol-2-yl)-1,2-oxazol-5-yl]ethyl]-8H-pyrido[2,3-d]pyrimidin-7-one
CID 58182593
4-[[(1R)-1-[3-(3H-pyrrol-2-yl)-1,2-oxazol-5-yl]ethyl]amino]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 58182595
4-[(3S)-3-[3-(3H-pyrrol-2-yl)-1,2-oxazol-5-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 58182612
4-[2-[3-(3H-indol-2-yl)-1,2-oxazol-5-yl]ethyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 58182636

Frequently Asked Questions

What is the IUPAC name of ethane;4-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of ethane;4-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (CID 123908456) is ethane;4-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for ethane;4-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for ethane;4-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is CC.Cc1cc(CCc2ncnc3c2CCC(=O)N3)on1.
What is the InChIKey of ethane;4-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is CLPLEXQVEBUUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2.C2H6/c1-8-6-9(19-17-8)2-4-11-10-3-5-12(18)16-13(10)15-7-14-11;1-2/h6-7H,2-5H2,1H3,(H,14,15,16,18);1-2H3.
What are the key properties of ethane;4-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
ethane;4-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 288.35 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 123908456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).