[(3R)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]-naphthalen-1-ylmethanone

C21H19N5O3 — CID 97345988

IUPAC[(3R)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]-naphthalen-1-ylmethanone
SMILESCn1cc(-c2nc([C@@H]3COCCN3C(=O)c3cccc4ccccc34)no2)cn1
InChIInChI=1S/C21H19N5O3/c1-25-12-15(11-22-25)20-23-19(24-29-20)18-13-28-10-9-26(18)21(27)17-8-4-6-14-5-2-3-7-16(14)17/h2-8,11-12,18H,9-10,13H2,1H3/t18-/m0/s1
InChIKeyUSPNMTUNERWDAJ-SFHVURJKSA-N
MW389.42 g/mol
LogP2.84
Rot. Bonds3

About [(3R)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]-naphthalen-1-ylmethanone

[(3R)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]-naphthalen-1-ylmethanone (PubChem CID 97345988) has the molecular formula C21H19N5O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is [(3R)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name[(3R)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]-naphthalen-1-ylmethanone
PubChem CID97345988
Molecular FormulaC21H19N5O3
Molecular Weight389.42 g/mol
Exact Mass389.15
IUPAC Name[(3R)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]-naphthalen-1-ylmethanone
SMILESCn1cc(-c2nc([C@@H]3COCCN3C(=O)c3cccc4ccccc34)no2)cn1
InChIInChI=1S/C21H19N5O3/c1-25-12-15(11-22-25)20-23-19(24-29-20)18-13-28-10-9-26(18)21(27)17-8-4-6-14-5-2-3-7-16(14)17/h2-8,11-12,18H,9-10,13H2,1H3/t18-/m0/s1
InChIKeyUSPNMTUNERWDAJ-SFHVURJKSA-N
XLogP2.84
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]-naphthalen-1-ylmethanone?
The IUPAC name of [(3R)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]-naphthalen-1-ylmethanone (CID 97345988) is [(3R)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]-naphthalen-1-ylmethanone.
What is the SMILES notation for [(3R)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]-naphthalen-1-ylmethanone?
The canonical SMILES for [(3R)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]-naphthalen-1-ylmethanone is Cn1cc(-c2nc([C@@H]3COCCN3C(=O)c3cccc4ccccc34)no2)cn1.
What is the InChIKey of [(3R)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]-naphthalen-1-ylmethanone?
The InChIKey is USPNMTUNERWDAJ-SFHVURJKSA-N. The full InChI is InChI=1S/C21H19N5O3/c1-25-12-15(11-22-25)20-23-19(24-29-20)18-13-28-10-9-26(18)21(27)17-8-4-6-14-5-2-3-7-16(14)17/h2-8,11-12,18H,9-10,13H2,1H3/t18-/m0/s1.
What are the key properties of [(3R)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]-naphthalen-1-ylmethanone?
[(3R)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]-naphthalen-1-ylmethanone has a molecular weight of 389.42 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]-naphthalen-1-ylmethanone is sourced from PubChem (CID 97345988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).