[4-(5-cyclopropyl-2-phenyl-1,3-oxazole-4-carbonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone

C25H25N3O4 — CID 86841112

IUPAC[4-(5-cyclopropyl-2-phenyl-1,3-oxazole-4-carbonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCN(C(=O)c3nc(-c4ccccc4)oc3C3CC3)CC2)cc1
InChIInChI=1S/C25H25N3O4/c1-31-20-11-9-19(10-12-20)24(29)27-13-15-28(16-14-27)25(30)21-22(17-7-8-17)32-23(26-21)18-5-3-2-4-6-18/h2-6,9-12,17H,7-8,13-16H2,1H3
InChIKeyXTWLLLBGKSAYOY-UHFFFAOYSA-N
MW431.49 g/mol
LogP3.83
Rot. Bonds5

About [4-(5-cyclopropyl-2-phenyl-1,3-oxazole-4-carbonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone

[4-(5-cyclopropyl-2-phenyl-1,3-oxazole-4-carbonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone (PubChem CID 86841112) has the molecular formula C25H25N3O4 and a molecular weight of 431.49 g/mol. Its IUPAC name is [4-(5-cyclopropyl-2-phenyl-1,3-oxazole-4-carbonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(5-cyclopropyl-2-phenyl-1,3-oxazole-4-carbonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
PubChem CID86841112
Molecular FormulaC25H25N3O4
Molecular Weight431.49 g/mol
Exact Mass431.18
IUPAC Name[4-(5-cyclopropyl-2-phenyl-1,3-oxazole-4-carbonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCN(C(=O)c3nc(-c4ccccc4)oc3C3CC3)CC2)cc1
InChIInChI=1S/C25H25N3O4/c1-31-20-11-9-19(10-12-20)24(29)27-13-15-28(16-14-27)25(30)21-22(17-7-8-17)32-23(26-21)18-5-3-2-4-6-18/h2-6,9-12,17H,7-8,13-16H2,1H3
InChIKeyXTWLLLBGKSAYOY-UHFFFAOYSA-N
XLogP3.83
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(5-cyclopropyl-2-phenyl-1,3-oxazole-4-carbonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [4-(5-cyclopropyl-2-phenyl-1,3-oxazole-4-carbonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone (CID 86841112) is [4-(5-cyclopropyl-2-phenyl-1,3-oxazole-4-carbonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [4-(5-cyclopropyl-2-phenyl-1,3-oxazole-4-carbonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [4-(5-cyclopropyl-2-phenyl-1,3-oxazole-4-carbonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)N2CCN(C(=O)c3nc(-c4ccccc4)oc3C3CC3)CC2)cc1.
What is the InChIKey of [4-(5-cyclopropyl-2-phenyl-1,3-oxazole-4-carbonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone?
The InChIKey is XTWLLLBGKSAYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4/c1-31-20-11-9-19(10-12-20)24(29)27-13-15-28(16-14-27)25(30)21-22(17-7-8-17)32-23(26-21)18-5-3-2-4-6-18/h2-6,9-12,17H,7-8,13-16H2,1H3.
What are the key properties of [4-(5-cyclopropyl-2-phenyl-1,3-oxazole-4-carbonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone?
[4-(5-cyclopropyl-2-phenyl-1,3-oxazole-4-carbonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone has a molecular weight of 431.49 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-cyclopropyl-2-phenyl-1,3-oxazole-4-carbonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 86841112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).