4-[(4-chlorophenyl)methyl]-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine

C17H18ClN5O2 — CID 75475280

IUPAC4-[(4-chlorophenyl)methyl]-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine
SMILESCn1cc(-c2nc(C3COCCN3Cc3ccc(Cl)cc3)no2)cn1
InChIInChI=1S/C17H18ClN5O2/c1-22-10-13(8-19-22)17-20-16(21-25-17)15-11-24-7-6-23(15)9-12-2-4-14(18)5-3-12/h2-5,8,10,15H,6-7,9,11H2,1H3
InChIKeyTWBCQECSPKDRDO-UHFFFAOYSA-N
MW359.82 g/mol
LogP2.70
Rot. Bonds4

About 4-[(4-chlorophenyl)methyl]-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine

4-[(4-chlorophenyl)methyl]-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine (PubChem CID 75475280) has the molecular formula C17H18ClN5O2 and a molecular weight of 359.82 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methyl]-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methyl]-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine
PubChem CID75475280
Molecular FormulaC17H18ClN5O2
Molecular Weight359.82 g/mol
Exact Mass359.11
IUPAC Name4-[(4-chlorophenyl)methyl]-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine
SMILESCn1cc(-c2nc(C3COCCN3Cc3ccc(Cl)cc3)no2)cn1
InChIInChI=1S/C17H18ClN5O2/c1-22-10-13(8-19-22)17-20-16(21-25-17)15-11-24-7-6-23(15)9-12-2-4-14(18)5-3-12/h2-5,8,10,15H,6-7,9,11H2,1H3
InChIKeyTWBCQECSPKDRDO-UHFFFAOYSA-N
XLogP2.70
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.82
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methyl]-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine?
The IUPAC name of 4-[(4-chlorophenyl)methyl]-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine (CID 75475280) is 4-[(4-chlorophenyl)methyl]-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine.
What is the SMILES notation for 4-[(4-chlorophenyl)methyl]-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine?
The canonical SMILES for 4-[(4-chlorophenyl)methyl]-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine is Cn1cc(-c2nc(C3COCCN3Cc3ccc(Cl)cc3)no2)cn1.
What is the InChIKey of 4-[(4-chlorophenyl)methyl]-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine?
The InChIKey is TWBCQECSPKDRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O2/c1-22-10-13(8-19-22)17-20-16(21-25-17)15-11-24-7-6-23(15)9-12-2-4-14(18)5-3-12/h2-5,8,10,15H,6-7,9,11H2,1H3.
What are the key properties of 4-[(4-chlorophenyl)methyl]-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine?
4-[(4-chlorophenyl)methyl]-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine has a molecular weight of 359.82 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methyl]-3-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]morpholine is sourced from PubChem (CID 75475280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).