3-cyclopropyl-5-[1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole

C17H25N5O2 — CID 56799602

IUPAC3-cyclopropyl-5-[1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
SMILESCc1noc(C)c1CN1CCN(C(C)c2nc(C3CC3)no2)CC1
InChIInChI=1S/C17H25N5O2/c1-11-15(13(3)23-19-11)10-21-6-8-22(9-7-21)12(2)17-18-16(20-24-17)14-4-5-14/h12,14H,4-10H2,1-3H3
InChIKeyBKMBCEVCUXJRHJ-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.43
Rot. Bonds5

About 3-cyclopropyl-5-[1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole

3-cyclopropyl-5-[1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole (PubChem CID 56799602) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 3-cyclopropyl-5-[1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
PubChem CID56799602
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name3-cyclopropyl-5-[1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
SMILESCc1noc(C)c1CN1CCN(C(C)c2nc(C3CC3)no2)CC1
InChIInChI=1S/C17H25N5O2/c1-11-15(13(3)23-19-11)10-21-6-8-22(9-7-21)12(2)17-18-16(20-24-17)14-4-5-14/h12,14H,4-10H2,1-3H3
InChIKeyBKMBCEVCUXJRHJ-UHFFFAOYSA-N
XLogP2.43
TPSA71.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-[1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole (CID 56799602) is 3-cyclopropyl-5-[1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-[1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole is Cc1noc(C)c1CN1CCN(C(C)c2nc(C3CC3)no2)CC1.
What is the InChIKey of 3-cyclopropyl-5-[1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
The InChIKey is BKMBCEVCUXJRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-11-15(13(3)23-19-11)10-21-6-8-22(9-7-21)12(2)17-18-16(20-24-17)14-4-5-14/h12,14H,4-10H2,1-3H3.
What are the key properties of 3-cyclopropyl-5-[1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
3-cyclopropyl-5-[1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole has a molecular weight of 331.42 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 56799602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).