6-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-1-methyl-[1,3]oxazolo[5,4-d]pyrimidine-2,7-dione

C19H16ClN5O5 — CID 139486492

IUPAC6-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-1-methyl-[1,3]oxazolo[5,4-d]pyrimidine-2,7-dione
SMILESCn1c(=O)oc2ncn(Cc3nc([C@@H]4CO[C@@H](c5ccc(Cl)cc5)C4)no3)c(=O)c21
InChIInChI=1S/C19H16ClN5O5/c1-24-15-17(29-19(24)27)21-9-25(18(15)26)7-14-22-16(23-30-14)11-6-13(28-8-11)10-2-4-12(20)5-3-10/h2-5,9,11,13H,6-8H2,1H3/t11-,13+/m0/s1
InChIKeyGFRTYOMOOHPBGT-WCQYABFASA-N
MW429.82 g/mol
LogP2.02
Rot. Bonds4

About 6-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-1-methyl-[1,3]oxazolo[5,4-d]pyrimidine-2,7-dione

6-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-1-methyl-[1,3]oxazolo[5,4-d]pyrimidine-2,7-dione (PubChem CID 139486492) has the molecular formula C19H16ClN5O5 and a molecular weight of 429.82 g/mol. Its IUPAC name is 6-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-1-methyl-[1,3]oxazolo[5,4-d]pyrimidine-2,7-dione.

Molecular Properties

Compound Name6-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-1-methyl-[1,3]oxazolo[5,4-d]pyrimidine-2,7-dione
PubChem CID139486492
Molecular FormulaC19H16ClN5O5
Molecular Weight429.82 g/mol
Exact Mass429.08
IUPAC Name6-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-1-methyl-[1,3]oxazolo[5,4-d]pyrimidine-2,7-dione
SMILESCn1c(=O)oc2ncn(Cc3nc([C@@H]4CO[C@@H](c5ccc(Cl)cc5)C4)no3)c(=O)c21
InChIInChI=1S/C19H16ClN5O5/c1-24-15-17(29-19(24)27)21-9-25(18(15)26)7-14-22-16(23-30-14)11-6-13(28-8-11)10-2-4-12(20)5-3-10/h2-5,9,11,13H,6-8H2,1H3/t11-,13+/m0/s1
InChIKeyGFRTYOMOOHPBGT-WCQYABFASA-N
XLogP2.02
TPSA118.18 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.82
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 6-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-1-methyl-[1,3]oxazolo[5,4-d]pyrimidine-2,7-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-1-methyl-[1,3]oxazolo[5,4-d]pyrimidine-2,7-dione?
The IUPAC name of 6-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-1-methyl-[1,3]oxazolo[5,4-d]pyrimidine-2,7-dione (CID 139486492) is 6-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-1-methyl-[1,3]oxazolo[5,4-d]pyrimidine-2,7-dione.
What is the SMILES notation for 6-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-1-methyl-[1,3]oxazolo[5,4-d]pyrimidine-2,7-dione?
The canonical SMILES for 6-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-1-methyl-[1,3]oxazolo[5,4-d]pyrimidine-2,7-dione is Cn1c(=O)oc2ncn(Cc3nc([C@@H]4CO[C@@H](c5ccc(Cl)cc5)C4)no3)c(=O)c21.
What is the InChIKey of 6-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-1-methyl-[1,3]oxazolo[5,4-d]pyrimidine-2,7-dione?
The InChIKey is GFRTYOMOOHPBGT-WCQYABFASA-N. The full InChI is InChI=1S/C19H16ClN5O5/c1-24-15-17(29-19(24)27)21-9-25(18(15)26)7-14-22-16(23-30-14)11-6-13(28-8-11)10-2-4-12(20)5-3-10/h2-5,9,11,13H,6-8H2,1H3/t11-,13+/m0/s1.
What are the key properties of 6-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-1-methyl-[1,3]oxazolo[5,4-d]pyrimidine-2,7-dione?
6-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-1-methyl-[1,3]oxazolo[5,4-d]pyrimidine-2,7-dione has a molecular weight of 429.82 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-1-methyl-[1,3]oxazolo[5,4-d]pyrimidine-2,7-dione is sourced from PubChem (CID 139486492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).