2-amino-3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrimidin-4-one

C18H18ClN5O3 — CID 139486552

IUPAC2-amino-3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrimidin-4-one
SMILESCc1cnc(N)n(Cc2nc([C@@H]3CO[C@@H](c4ccc(Cl)cc4)C3)no2)c1=O
InChIInChI=1S/C18H18ClN5O3/c1-10-7-21-18(20)24(17(10)25)8-15-22-16(23-27-15)12-6-14(26-9-12)11-2-4-13(19)5-3-11/h2-5,7,12,14H,6,8-9H2,1H3,(H2,20,21)/t12-,14+/m0/s1
InChIKeyODPZBRSHIVSPND-GXTWGEPZSA-N
MW387.83 g/mol
LogP2.46
Rot. Bonds4

About 2-amino-3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrimidin-4-one

2-amino-3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrimidin-4-one (PubChem CID 139486552) has the molecular formula C18H18ClN5O3 and a molecular weight of 387.83 g/mol. Its IUPAC name is 2-amino-3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrimidin-4-one.

Molecular Properties

Compound Name2-amino-3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrimidin-4-one
PubChem CID139486552
Molecular FormulaC18H18ClN5O3
Molecular Weight387.83 g/mol
Exact Mass387.11
IUPAC Name2-amino-3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrimidin-4-one
SMILESCc1cnc(N)n(Cc2nc([C@@H]3CO[C@@H](c4ccc(Cl)cc4)C3)no2)c1=O
InChIInChI=1S/C18H18ClN5O3/c1-10-7-21-18(20)24(17(10)25)8-15-22-16(23-27-15)12-6-14(26-9-12)11-2-4-13(19)5-3-11/h2-5,7,12,14H,6,8-9H2,1H3,(H2,20,21)/t12-,14+/m0/s1
InChIKeyODPZBRSHIVSPND-GXTWGEPZSA-N
XLogP2.46
TPSA109.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.83
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-amino-3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrimidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrimidin-4-one?
The IUPAC name of 2-amino-3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrimidin-4-one (CID 139486552) is 2-amino-3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrimidin-4-one.
What is the SMILES notation for 2-amino-3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrimidin-4-one?
The canonical SMILES for 2-amino-3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrimidin-4-one is Cc1cnc(N)n(Cc2nc([C@@H]3CO[C@@H](c4ccc(Cl)cc4)C3)no2)c1=O.
What is the InChIKey of 2-amino-3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrimidin-4-one?
The InChIKey is ODPZBRSHIVSPND-GXTWGEPZSA-N. The full InChI is InChI=1S/C18H18ClN5O3/c1-10-7-21-18(20)24(17(10)25)8-15-22-16(23-27-15)12-6-14(26-9-12)11-2-4-13(19)5-3-11/h2-5,7,12,14H,6,8-9H2,1H3,(H2,20,21)/t12-,14+/m0/s1.
What are the key properties of 2-amino-3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrimidin-4-one?
2-amino-3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrimidin-4-one has a molecular weight of 387.83 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrimidin-4-one is sourced from PubChem (CID 139486552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).