[5-(furan-2-yl)-1,3-oxazol-4-yl]-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]methanone

C19H23N5O3 — CID 86957724

IUPAC[5-(furan-2-yl)-1,3-oxazol-4-yl]-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
SMILESCc1nn(C)c(C)c1CN1CCN(C(=O)c2ncoc2-c2ccco2)CC1
InChIInChI=1S/C19H23N5O3/c1-13-15(14(2)22(3)21-13)11-23-6-8-24(9-7-23)19(25)17-18(27-12-20-17)16-5-4-10-26-16/h4-5,10,12H,6-9,11H2,1-3H3
InChIKeyCTIWIYKGDHXTGO-UHFFFAOYSA-N
MW369.43 g/mol
LogP2.24
Rot. Bonds4

About [5-(furan-2-yl)-1,3-oxazol-4-yl]-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]methanone

[5-(furan-2-yl)-1,3-oxazol-4-yl]-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]methanone (PubChem CID 86957724) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is [5-(furan-2-yl)-1,3-oxazol-4-yl]-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-(furan-2-yl)-1,3-oxazol-4-yl]-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
PubChem CID86957724
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name[5-(furan-2-yl)-1,3-oxazol-4-yl]-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
SMILESCc1nn(C)c(C)c1CN1CCN(C(=O)c2ncoc2-c2ccco2)CC1
InChIInChI=1S/C19H23N5O3/c1-13-15(14(2)22(3)21-13)11-23-6-8-24(9-7-23)19(25)17-18(27-12-20-17)16-5-4-10-26-16/h4-5,10,12H,6-9,11H2,1-3H3
InChIKeyCTIWIYKGDHXTGO-UHFFFAOYSA-N
XLogP2.24
TPSA80.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[5-(furan-2-yl)-1,3-oxazol-4-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 86950986
[5-(furan-2-yl)-1,3-oxazol-4-yl]-[4-(2-hydroxybutyl)piperazin-1-yl]methanone
CID 86950816
1-[4-(furan-2-ylmethyl)piperazin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 51305771
2-amino-2-phenyl-1-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]ethanone;trihydrochloride
CID 119903167
2-amino-3-phenyl-1-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]propan-1-one
CID 119903178
1H-indol-7-yl-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
CID 126795994
[4-[5-(furan-2-yl)-1,3-oxazole-4-carbonyl]piperazin-1-yl]-(5-nitrothiophen-2-yl)methanone
CID 86950754
furan-2-yl-[4-[(5-methyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]methanone
CID 171997967
(2-pyrrolidin-1-ylquinolin-3-yl)-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
CID 86957741
[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-[5-(furan-2-yl)-1,3-oxazol-4-yl]methanone
CID 71875566
[3-[4-(furan-2-ylmethyl)piperazine-1-carbonyl]-1-methylpyrazol-4-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 29097638
[4-(furan-2-ylmethyl)piperazin-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone
CID 46684636

Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-1,3-oxazol-4-yl]-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]methanone?
The IUPAC name of [5-(furan-2-yl)-1,3-oxazol-4-yl]-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]methanone (CID 86957724) is [5-(furan-2-yl)-1,3-oxazol-4-yl]-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for [5-(furan-2-yl)-1,3-oxazol-4-yl]-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for [5-(furan-2-yl)-1,3-oxazol-4-yl]-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]methanone is Cc1nn(C)c(C)c1CN1CCN(C(=O)c2ncoc2-c2ccco2)CC1.
What is the InChIKey of [5-(furan-2-yl)-1,3-oxazol-4-yl]-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]methanone?
The InChIKey is CTIWIYKGDHXTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-13-15(14(2)22(3)21-13)11-23-6-8-24(9-7-23)19(25)17-18(27-12-20-17)16-5-4-10-26-16/h4-5,10,12H,6-9,11H2,1-3H3.
What are the key properties of [5-(furan-2-yl)-1,3-oxazol-4-yl]-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]methanone?
[5-(furan-2-yl)-1,3-oxazol-4-yl]-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]methanone has a molecular weight of 369.43 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(furan-2-yl)-1,3-oxazol-4-yl]-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 86957724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).