[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone

C17H16ClN5O3 — CID 75470541

IUPAC[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
SMILESCc1nn(-c2ccc(Cl)cc2)cc1C(=O)N1CCOCC1c1ncon1
InChIInChI=1S/C17H16ClN5O3/c1-11-14(8-23(20-11)13-4-2-12(18)3-5-13)17(24)22-6-7-25-9-15(22)16-19-10-26-21-16/h2-5,8,10,15H,6-7,9H2,1H3
InChIKeyLBXIMUYBNTUTQZ-UHFFFAOYSA-N
MW373.80 g/mol
LogP2.43
Rot. Bonds3

About [1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone

[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone (PubChem CID 75470541) has the molecular formula C17H16ClN5O3 and a molecular weight of 373.80 g/mol. Its IUPAC name is [1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
PubChem CID75470541
Molecular FormulaC17H16ClN5O3
Molecular Weight373.80 g/mol
Exact Mass373.09
IUPAC Name[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
SMILESCc1nn(-c2ccc(Cl)cc2)cc1C(=O)N1CCOCC1c1ncon1
InChIInChI=1S/C17H16ClN5O3/c1-11-14(8-23(20-11)13-4-2-12(18)3-5-13)17(24)22-6-7-25-9-15(22)16-19-10-26-21-16/h2-5,8,10,15H,6-7,9H2,1H3
InChIKeyLBXIMUYBNTUTQZ-UHFFFAOYSA-N
XLogP2.43
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.80
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone?
The IUPAC name of [1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone (CID 75470541) is [1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone.
What is the SMILES notation for [1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone?
The canonical SMILES for [1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone is Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N1CCOCC1c1ncon1.
What is the InChIKey of [1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone?
The InChIKey is LBXIMUYBNTUTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O3/c1-11-14(8-23(20-11)13-4-2-12(18)3-5-13)17(24)22-6-7-25-9-15(22)16-19-10-26-21-16/h2-5,8,10,15H,6-7,9H2,1H3.
What are the key properties of [1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone?
[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone has a molecular weight of 373.80 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 75470541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).