3-[[(6R)-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidin-6-yl]methyl]-4,5-dimethyl-1,3-oxazol-2-one

C14H17N3O3 — CID 97192347

IUPAC3-[[(6R)-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidin-6-yl]methyl]-4,5-dimethyl-1,3-oxazol-2-one
SMILESCc1nc(C)c2c(n1)O[C@@H](Cn1c(C)c(C)oc1=O)C2
InChIInChI=1S/C14H17N3O3/c1-7-12-5-11(20-13(12)16-10(4)15-7)6-17-8(2)9(3)19-14(17)18/h11H,5-6H2,1-4H3/t11-/m1/s1
InChIKeyHSQGZEZTNBVCGU-LLVKDONJSA-N
MW275.31 g/mol
LogP1.47
Rot. Bonds2

About 3-[[(6R)-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidin-6-yl]methyl]-4,5-dimethyl-1,3-oxazol-2-one

3-[[(6R)-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidin-6-yl]methyl]-4,5-dimethyl-1,3-oxazol-2-one (PubChem CID 97192347) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 3-[[(6R)-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidin-6-yl]methyl]-4,5-dimethyl-1,3-oxazol-2-one.

Molecular Properties

Compound Name3-[[(6R)-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidin-6-yl]methyl]-4,5-dimethyl-1,3-oxazol-2-one
PubChem CID97192347
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name3-[[(6R)-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidin-6-yl]methyl]-4,5-dimethyl-1,3-oxazol-2-one
SMILESCc1nc(C)c2c(n1)O[C@@H](Cn1c(C)c(C)oc1=O)C2
InChIInChI=1S/C14H17N3O3/c1-7-12-5-11(20-13(12)16-10(4)15-7)6-17-8(2)9(3)19-14(17)18/h11H,5-6H2,1-4H3/t11-/m1/s1
InChIKeyHSQGZEZTNBVCGU-LLVKDONJSA-N
XLogP1.47
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[(6R)-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidin-6-yl]methyl]-4,5-dimethyl-1,3-oxazol-2-one?
The IUPAC name of 3-[[(6R)-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidin-6-yl]methyl]-4,5-dimethyl-1,3-oxazol-2-one (CID 97192347) is 3-[[(6R)-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidin-6-yl]methyl]-4,5-dimethyl-1,3-oxazol-2-one.
What is the SMILES notation for 3-[[(6R)-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidin-6-yl]methyl]-4,5-dimethyl-1,3-oxazol-2-one?
The canonical SMILES for 3-[[(6R)-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidin-6-yl]methyl]-4,5-dimethyl-1,3-oxazol-2-one is Cc1nc(C)c2c(n1)O[C@@H](Cn1c(C)c(C)oc1=O)C2.
What is the InChIKey of 3-[[(6R)-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidin-6-yl]methyl]-4,5-dimethyl-1,3-oxazol-2-one?
The InChIKey is HSQGZEZTNBVCGU-LLVKDONJSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-7-12-5-11(20-13(12)16-10(4)15-7)6-17-8(2)9(3)19-14(17)18/h11H,5-6H2,1-4H3/t11-/m1/s1.
What are the key properties of 3-[[(6R)-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidin-6-yl]methyl]-4,5-dimethyl-1,3-oxazol-2-one?
3-[[(6R)-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidin-6-yl]methyl]-4,5-dimethyl-1,3-oxazol-2-one has a molecular weight of 275.31 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(6R)-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidin-6-yl]methyl]-4,5-dimethyl-1,3-oxazol-2-one is sourced from PubChem (CID 97192347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).