(5-methyl-1,2-oxazol-3-yl)-(2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone

C16H19N5O3 — CID 86264655

IUPAC(5-methyl-1,2-oxazol-3-yl)-(2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone
SMILESCc1cc(C(=O)N2CCc3cnc(N4CCOCC4)nc3C2)no1
InChIInChI=1S/C16H19N5O3/c1-11-8-13(19-24-11)15(22)21-3-2-12-9-17-16(18-14(12)10-21)20-4-6-23-7-5-20/h8-9H,2-7,10H2,1H3
InChIKeyPKCREQOJPVQADH-UHFFFAOYSA-N
MW329.36 g/mol
LogP0.81
Rot. Bonds2

About (5-methyl-1,2-oxazol-3-yl)-(2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone

(5-methyl-1,2-oxazol-3-yl)-(2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone (PubChem CID 86264655) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is (5-methyl-1,2-oxazol-3-yl)-(2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone.

Molecular Properties

Compound Name(5-methyl-1,2-oxazol-3-yl)-(2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone
PubChem CID86264655
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC Name(5-methyl-1,2-oxazol-3-yl)-(2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone
SMILESCc1cc(C(=O)N2CCc3cnc(N4CCOCC4)nc3C2)no1
InChIInChI=1S/C16H19N5O3/c1-11-8-13(19-24-11)15(22)21-3-2-12-9-17-16(18-14(12)10-21)20-4-6-23-7-5-20/h8-9H,2-7,10H2,1H3
InChIKeyPKCREQOJPVQADH-UHFFFAOYSA-N
XLogP0.81
TPSA84.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,2-oxazol-3-yl)-(2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone?
The IUPAC name of (5-methyl-1,2-oxazol-3-yl)-(2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone (CID 86264655) is (5-methyl-1,2-oxazol-3-yl)-(2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone.
What is the SMILES notation for (5-methyl-1,2-oxazol-3-yl)-(2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone?
The canonical SMILES for (5-methyl-1,2-oxazol-3-yl)-(2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone is Cc1cc(C(=O)N2CCc3cnc(N4CCOCC4)nc3C2)no1.
What is the InChIKey of (5-methyl-1,2-oxazol-3-yl)-(2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone?
The InChIKey is PKCREQOJPVQADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3/c1-11-8-13(19-24-11)15(22)21-3-2-12-9-17-16(18-14(12)10-21)20-4-6-23-7-5-20/h8-9H,2-7,10H2,1H3.
What are the key properties of (5-methyl-1,2-oxazol-3-yl)-(2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone?
(5-methyl-1,2-oxazol-3-yl)-(2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone has a molecular weight of 329.36 g/mol, XLogP of 0.81, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,2-oxazol-3-yl)-(2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone is sourced from PubChem (CID 86264655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).