4-(3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one

C16H15N5O3 — CID 156599542

IUPAC4-(3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one
SMILESCOc1ccc2c(c1)NC(=O)CN2c1nc(C)nc2onc(C)c12
InChIInChI=1S/C16H15N5O3/c1-8-14-15(17-9(2)18-16(14)24-20-8)21-7-13(22)19-11-6-10(23-3)4-5-12(11)21/h4-6H,7H2,1-3H3,(H,19,22)
InChIKeyANFWBEUANIPNGV-UHFFFAOYSA-N
MW325.33 g/mol
LogP2.33
Rot. Bonds2

About 4-(3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one

4-(3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one (PubChem CID 156599542) has the molecular formula C16H15N5O3 and a molecular weight of 325.33 g/mol. Its IUPAC name is 4-(3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-(3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one
PubChem CID156599542
Molecular FormulaC16H15N5O3
Molecular Weight325.33 g/mol
Exact Mass325.12
IUPAC Name4-(3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one
SMILESCOc1ccc2c(c1)NC(=O)CN2c1nc(C)nc2onc(C)c12
InChIInChI=1S/C16H15N5O3/c1-8-14-15(17-9(2)18-16(14)24-20-8)21-7-13(22)19-11-6-10(23-3)4-5-12(11)21/h4-6H,7H2,1-3H3,(H,19,22)
InChIKeyANFWBEUANIPNGV-UHFFFAOYSA-N
XLogP2.33
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-(3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one (CID 156599542) is 4-(3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-(3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-(3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one is COc1ccc2c(c1)NC(=O)CN2c1nc(C)nc2onc(C)c12.
What is the InChIKey of 4-(3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one?
The InChIKey is ANFWBEUANIPNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O3/c1-8-14-15(17-9(2)18-16(14)24-20-8)21-7-13(22)19-11-6-10(23-3)4-5-12(11)21/h4-6H,7H2,1-3H3,(H,19,22).
What are the key properties of 4-(3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one?
4-(3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one has a molecular weight of 325.33 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,6-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 156599542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).