[1-(2,4-dichlorophenyl)pyrazol-4-yl]-[(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone

C16H13Cl2N5O3 — CID 97331656

IUPAC[1-(2,4-dichlorophenyl)pyrazol-4-yl]-[(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
SMILESO=C(c1cnn(-c2ccc(Cl)cc2Cl)c1)N1CCOC[C@H]1c1ncon1
InChIInChI=1S/C16H13Cl2N5O3/c17-11-1-2-13(12(18)5-11)23-7-10(6-20-23)16(24)22-3-4-25-8-14(22)15-19-9-26-21-15/h1-2,5-7,9,14H,3-4,8H2/t14-/m0/s1
InChIKeyJYYDRJWHYWYNLG-AWEZNQCLSA-N
MW394.22 g/mol
LogP2.78
Rot. Bonds3

About [1-(2,4-dichlorophenyl)pyrazol-4-yl]-[(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone

[1-(2,4-dichlorophenyl)pyrazol-4-yl]-[(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone (PubChem CID 97331656) has the molecular formula C16H13Cl2N5O3 and a molecular weight of 394.22 g/mol. Its IUPAC name is [1-(2,4-dichlorophenyl)pyrazol-4-yl]-[(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name[1-(2,4-dichlorophenyl)pyrazol-4-yl]-[(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
PubChem CID97331656
Molecular FormulaC16H13Cl2N5O3
Molecular Weight394.22 g/mol
Exact Mass393.04
IUPAC Name[1-(2,4-dichlorophenyl)pyrazol-4-yl]-[(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
SMILESO=C(c1cnn(-c2ccc(Cl)cc2Cl)c1)N1CCOC[C@H]1c1ncon1
InChIInChI=1S/C16H13Cl2N5O3/c17-11-1-2-13(12(18)5-11)23-7-10(6-20-23)16(24)22-3-4-25-8-14(22)15-19-9-26-21-15/h1-2,5-7,9,14H,3-4,8H2/t14-/m0/s1
InChIKeyJYYDRJWHYWYNLG-AWEZNQCLSA-N
XLogP2.78
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.22
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-(2,4-dichlorophenyl)pyrazol-4-yl]-[(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone?
The IUPAC name of [1-(2,4-dichlorophenyl)pyrazol-4-yl]-[(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone (CID 97331656) is [1-(2,4-dichlorophenyl)pyrazol-4-yl]-[(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone.
What is the SMILES notation for [1-(2,4-dichlorophenyl)pyrazol-4-yl]-[(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone?
The canonical SMILES for [1-(2,4-dichlorophenyl)pyrazol-4-yl]-[(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone is O=C(c1cnn(-c2ccc(Cl)cc2Cl)c1)N1CCOC[C@H]1c1ncon1.
What is the InChIKey of [1-(2,4-dichlorophenyl)pyrazol-4-yl]-[(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone?
The InChIKey is JYYDRJWHYWYNLG-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H13Cl2N5O3/c17-11-1-2-13(12(18)5-11)23-7-10(6-20-23)16(24)22-3-4-25-8-14(22)15-19-9-26-21-15/h1-2,5-7,9,14H,3-4,8H2/t14-/m0/s1.
What are the key properties of [1-(2,4-dichlorophenyl)pyrazol-4-yl]-[(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone?
[1-(2,4-dichlorophenyl)pyrazol-4-yl]-[(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone has a molecular weight of 394.22 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4-dichlorophenyl)pyrazol-4-yl]-[(3R)-3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 97331656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).