1-[4-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]-2-morpholin-4-ylethanone

C21H29N5O3 — CID 52532974

IUPAC1-[4-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]-2-morpholin-4-ylethanone
SMILESCc1ccc(-c2nnc([C@@H](C)N3CCN(C(=O)CN4CCOCC4)CC3)o2)cc1
InChIInChI=1S/C21H29N5O3/c1-16-3-5-18(6-4-16)21-23-22-20(29-21)17(2)25-7-9-26(10-8-25)19(27)15-24-11-13-28-14-12-24/h3-6,17H,7-15H2,1-2H3/t17-/m1/s1
InChIKeyRJXKYZJCLLLDSK-QGZVFWFLSA-N
MW399.50 g/mol
LogP1.58
Rot. Bonds5

About 1-[4-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]-2-morpholin-4-ylethanone

1-[4-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]-2-morpholin-4-ylethanone (PubChem CID 52532974) has the molecular formula C21H29N5O3 and a molecular weight of 399.50 g/mol. Its IUPAC name is 1-[4-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-[4-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]-2-morpholin-4-ylethanone
PubChem CID52532974
Molecular FormulaC21H29N5O3
Molecular Weight399.50 g/mol
Exact Mass399.23
IUPAC Name1-[4-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]-2-morpholin-4-ylethanone
SMILESCc1ccc(-c2nnc([C@@H](C)N3CCN(C(=O)CN4CCOCC4)CC3)o2)cc1
InChIInChI=1S/C21H29N5O3/c1-16-3-5-18(6-4-16)21-23-22-20(29-21)17(2)25-7-9-26(10-8-25)19(27)15-24-11-13-28-14-12-24/h3-6,17H,7-15H2,1-2H3/t17-/m1/s1
InChIKeyRJXKYZJCLLLDSK-QGZVFWFLSA-N
XLogP1.58
TPSA74.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]-2-morpholin-4-ylethanone?
The IUPAC name of 1-[4-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]-2-morpholin-4-ylethanone (CID 52532974) is 1-[4-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-[4-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]-2-morpholin-4-ylethanone?
The canonical SMILES for 1-[4-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]-2-morpholin-4-ylethanone is Cc1ccc(-c2nnc([C@@H](C)N3CCN(C(=O)CN4CCOCC4)CC3)o2)cc1.
What is the InChIKey of 1-[4-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]-2-morpholin-4-ylethanone?
The InChIKey is RJXKYZJCLLLDSK-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H29N5O3/c1-16-3-5-18(6-4-16)21-23-22-20(29-21)17(2)25-7-9-26(10-8-25)19(27)15-24-11-13-28-14-12-24/h3-6,17H,7-15H2,1-2H3/t17-/m1/s1.
What are the key properties of 1-[4-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]-2-morpholin-4-ylethanone?
1-[4-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]-2-morpholin-4-ylethanone has a molecular weight of 399.50 g/mol, XLogP of 1.58, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]-2-morpholin-4-ylethanone is sourced from PubChem (CID 52532974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).