1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-one

C18H27N5O3 — CID 47035640

IUPAC1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-one
SMILESCc1cc(CN2CCN(C(=O)CCCc3nc(C(C)C)no3)CC2)on1
InChIInChI=1S/C18H27N5O3/c1-13(2)18-19-16(26-21-18)5-4-6-17(24)23-9-7-22(8-10-23)12-15-11-14(3)20-25-15/h11,13H,4-10,12H2,1-3H3
InChIKeyAWZRVKMYMWMIJZ-UHFFFAOYSA-N
MW361.45 g/mol
LogP2.16
Rot. Bonds7

About 1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-one

1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-one (PubChem CID 47035640) has the molecular formula C18H27N5O3 and a molecular weight of 361.45 g/mol. Its IUPAC name is 1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-one.

Molecular Properties

Compound Name1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-one
PubChem CID47035640
Molecular FormulaC18H27N5O3
Molecular Weight361.45 g/mol
Exact Mass361.21
IUPAC Name1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-one
SMILESCc1cc(CN2CCN(C(=O)CCCc3nc(C(C)C)no3)CC2)on1
InChIInChI=1S/C18H27N5O3/c1-13(2)18-19-16(26-21-18)5-4-6-17(24)23-9-7-22(8-10-23)12-15-11-14(3)20-25-15/h11,13H,4-10,12H2,1-3H3
InChIKeyAWZRVKMYMWMIJZ-UHFFFAOYSA-N
XLogP2.16
TPSA88.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-one with MolForge

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Related Compounds

[3-(3-Methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 47296925
5-[1-[4-[(5-Methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 53527006
1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-3-amine
CID 53610355
1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-3-amine
CID 53612861
[2-(3-Ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 56686230
3-Cyclopropyl-5-[1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 56796690
2-(3-Methyl-1,2-oxazol-5-yl)-1-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 70786999
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]acetamide
CID 71872444
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]acetamide
CID 71872470
1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-3-amine
CID 72044141
1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-3-amine
CID 72044142
N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-3-amine
CID 72143237

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-one?
The IUPAC name of 1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-one (CID 47035640) is 1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-one.
What is the SMILES notation for 1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-one?
The canonical SMILES for 1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-one is Cc1cc(CN2CCN(C(=O)CCCc3nc(C(C)C)no3)CC2)on1.
What is the InChIKey of 1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-one?
The InChIKey is AWZRVKMYMWMIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O3/c1-13(2)18-19-16(26-21-18)5-4-6-17(24)23-9-7-22(8-10-23)12-15-11-14(3)20-25-15/h11,13H,4-10,12H2,1-3H3.
What are the key properties of 1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-one?
1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-one has a molecular weight of 361.45 g/mol, XLogP of 2.16, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-one is sourced from PubChem (CID 47035640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).