[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone

C17H25N5O2 — CID 86945340

IUPAC[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone
SMILESCc1nc(CN2CCN(C(=O)c3ccn(C(C)C)n3)CC2)oc1C
InChIInChI=1S/C17H25N5O2/c1-12(2)22-6-5-15(19-22)17(23)21-9-7-20(8-10-21)11-16-18-13(3)14(4)24-16/h5-6,12H,7-11H2,1-4H3
InChIKeyOKHMDSBLOXDSME-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.03
Rot. Bonds4

About [4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone

[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone (PubChem CID 86945340) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is [4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone
PubChem CID86945340
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone
SMILESCc1nc(CN2CCN(C(=O)c3ccn(C(C)C)n3)CC2)oc1C
InChIInChI=1S/C17H25N5O2/c1-12(2)22-6-5-15(19-22)17(23)21-9-7-20(8-10-21)11-16-18-13(3)14(4)24-16/h5-6,12H,7-11H2,1-4H3
InChIKeyOKHMDSBLOXDSME-UHFFFAOYSA-N
XLogP2.03
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone?
The IUPAC name of [4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone (CID 86945340) is [4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone.
What is the SMILES notation for [4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone?
The canonical SMILES for [4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone is Cc1nc(CN2CCN(C(=O)c3ccn(C(C)C)n3)CC2)oc1C.
What is the InChIKey of [4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone?
The InChIKey is OKHMDSBLOXDSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-12(2)22-6-5-15(19-22)17(23)21-9-7-20(8-10-21)11-16-18-13(3)14(4)24-16/h5-6,12H,7-11H2,1-4H3.
What are the key properties of [4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone?
[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone has a molecular weight of 331.42 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-(1-propan-2-ylpyrazol-3-yl)methanone is sourced from PubChem (CID 86945340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).