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

C16H13Cl2N5O3 — CID 75473103

IUPAC[1-(3,4-dichlorophenyl)pyrazol-3-yl]-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
SMILESO=C(c1ccn(-c2ccc(Cl)c(Cl)c2)n1)N1CCOCC1c1ncon1
InChIInChI=1S/C16H13Cl2N5O3/c17-11-2-1-10(7-12(11)18)23-4-3-13(20-23)16(24)22-5-6-25-8-14(22)15-19-9-26-21-15/h1-4,7,9,14H,5-6,8H2
InChIKeyNWMCAHPTNSJWRV-UHFFFAOYSA-N
MW394.22 g/mol
LogP2.78
Rot. Bonds3

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

[1-(3,4-dichlorophenyl)pyrazol-3-yl]-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone (PubChem CID 75473103) has the molecular formula C16H13Cl2N5O3 and a molecular weight of 394.22 g/mol. Its IUPAC name is [1-(3,4-dichlorophenyl)pyrazol-3-yl]-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name[1-(3,4-dichlorophenyl)pyrazol-3-yl]-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
PubChem CID75473103
Molecular FormulaC16H13Cl2N5O3
Molecular Weight394.22 g/mol
Exact Mass393.04
IUPAC Name[1-(3,4-dichlorophenyl)pyrazol-3-yl]-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
SMILESO=C(c1ccn(-c2ccc(Cl)c(Cl)c2)n1)N1CCOCC1c1ncon1
InChIInChI=1S/C16H13Cl2N5O3/c17-11-2-1-10(7-12(11)18)23-4-3-13(20-23)16(24)22-5-6-25-8-14(22)15-19-9-26-21-15/h1-4,7,9,14H,5-6,8H2
InChIKeyNWMCAHPTNSJWRV-UHFFFAOYSA-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-(3,4-dichlorophenyl)pyrazol-3-yl]-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone?
The IUPAC name of [1-(3,4-dichlorophenyl)pyrazol-3-yl]-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone (CID 75473103) is [1-(3,4-dichlorophenyl)pyrazol-3-yl]-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone.
What is the SMILES notation for [1-(3,4-dichlorophenyl)pyrazol-3-yl]-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone?
The canonical SMILES for [1-(3,4-dichlorophenyl)pyrazol-3-yl]-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone is O=C(c1ccn(-c2ccc(Cl)c(Cl)c2)n1)N1CCOCC1c1ncon1.
What is the InChIKey of [1-(3,4-dichlorophenyl)pyrazol-3-yl]-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone?
The InChIKey is NWMCAHPTNSJWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N5O3/c17-11-2-1-10(7-12(11)18)23-4-3-13(20-23)16(24)22-5-6-25-8-14(22)15-19-9-26-21-15/h1-4,7,9,14H,5-6,8H2.
What are the key properties of [1-(3,4-dichlorophenyl)pyrazol-3-yl]-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone?
[1-(3,4-dichlorophenyl)pyrazol-3-yl]-[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-(3,4-dichlorophenyl)pyrazol-3-yl]-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 75473103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).