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

C19H25N3O3 — CID 53195239

IUPAC[4-(2-methoxyphenyl)piperazin-1-yl]-(5-methyl-2-propan-2-yl-1,3-oxazol-4-yl)methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2nc(C(C)C)oc2C)CC1
InChIInChI=1S/C19H25N3O3/c1-13(2)18-20-17(14(3)25-18)19(23)22-11-9-21(10-12-22)15-7-5-6-8-16(15)24-4/h5-8,13H,9-12H2,1-4H3
InChIKeyVPWQBKHICLOLKT-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.08
Rot. Bonds4

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

[4-(2-methoxyphenyl)piperazin-1-yl]-(5-methyl-2-propan-2-yl-1,3-oxazol-4-yl)methanone (PubChem CID 53195239) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is [4-(2-methoxyphenyl)piperazin-1-yl]-(5-methyl-2-propan-2-yl-1,3-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(2-methoxyphenyl)piperazin-1-yl]-(5-methyl-2-propan-2-yl-1,3-oxazol-4-yl)methanone
PubChem CID53195239
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name[4-(2-methoxyphenyl)piperazin-1-yl]-(5-methyl-2-propan-2-yl-1,3-oxazol-4-yl)methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2nc(C(C)C)oc2C)CC1
InChIInChI=1S/C19H25N3O3/c1-13(2)18-20-17(14(3)25-18)19(23)22-11-9-21(10-12-22)15-7-5-6-8-16(15)24-4/h5-8,13H,9-12H2,1-4H3
InChIKeyVPWQBKHICLOLKT-UHFFFAOYSA-N
XLogP3.08
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyphenyl)piperazin-1-yl]-(5-methyl-2-propan-2-yl-1,3-oxazol-4-yl)methanone?
The IUPAC name of [4-(2-methoxyphenyl)piperazin-1-yl]-(5-methyl-2-propan-2-yl-1,3-oxazol-4-yl)methanone (CID 53195239) is [4-(2-methoxyphenyl)piperazin-1-yl]-(5-methyl-2-propan-2-yl-1,3-oxazol-4-yl)methanone.
What is the SMILES notation for [4-(2-methoxyphenyl)piperazin-1-yl]-(5-methyl-2-propan-2-yl-1,3-oxazol-4-yl)methanone?
The canonical SMILES for [4-(2-methoxyphenyl)piperazin-1-yl]-(5-methyl-2-propan-2-yl-1,3-oxazol-4-yl)methanone is COc1ccccc1N1CCN(C(=O)c2nc(C(C)C)oc2C)CC1.
What is the InChIKey of [4-(2-methoxyphenyl)piperazin-1-yl]-(5-methyl-2-propan-2-yl-1,3-oxazol-4-yl)methanone?
The InChIKey is VPWQBKHICLOLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-13(2)18-20-17(14(3)25-18)19(23)22-11-9-21(10-12-22)15-7-5-6-8-16(15)24-4/h5-8,13H,9-12H2,1-4H3.
What are the key properties of [4-(2-methoxyphenyl)piperazin-1-yl]-(5-methyl-2-propan-2-yl-1,3-oxazol-4-yl)methanone?
[4-(2-methoxyphenyl)piperazin-1-yl]-(5-methyl-2-propan-2-yl-1,3-oxazol-4-yl)methanone has a molecular weight of 343.43 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyphenyl)piperazin-1-yl]-(5-methyl-2-propan-2-yl-1,3-oxazol-4-yl)methanone is sourced from PubChem (CID 53195239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).