2-[4-[(4-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]butanamide

C18H24N4O2 — CID 126768826

IUPAC2-[4-[(4-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]butanamide
SMILESCCC(C(N)=O)N1CCN(Cc2nc(-c3ccccc3)co2)CC1
InChIInChI=1S/C18H24N4O2/c1-2-16(18(19)23)22-10-8-21(9-11-22)12-17-20-15(13-24-17)14-6-4-3-5-7-14/h3-7,13,16H,2,8-12H2,1H3,(H2,19,23)
InChIKeyKDPMNCNSDZSLIS-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.72
Rot. Bonds6

About 2-[4-[(4-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]butanamide

2-[4-[(4-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]butanamide (PubChem CID 126768826) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-[4-[(4-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]butanamide.

Molecular Properties

Compound Name2-[4-[(4-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]butanamide
PubChem CID126768826
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name2-[4-[(4-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]butanamide
SMILESCCC(C(N)=O)N1CCN(Cc2nc(-c3ccccc3)co2)CC1
InChIInChI=1S/C18H24N4O2/c1-2-16(18(19)23)22-10-8-21(9-11-22)12-17-20-15(13-24-17)14-6-4-3-5-7-14/h3-7,13,16H,2,8-12H2,1H3,(H2,19,23)
InChIKeyKDPMNCNSDZSLIS-UHFFFAOYSA-N
XLogP1.72
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]butanamide?
The IUPAC name of 2-[4-[(4-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]butanamide (CID 126768826) is 2-[4-[(4-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]butanamide.
What is the SMILES notation for 2-[4-[(4-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]butanamide?
The canonical SMILES for 2-[4-[(4-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]butanamide is CCC(C(N)=O)N1CCN(Cc2nc(-c3ccccc3)co2)CC1.
What is the InChIKey of 2-[4-[(4-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]butanamide?
The InChIKey is KDPMNCNSDZSLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-2-16(18(19)23)22-10-8-21(9-11-22)12-17-20-15(13-24-17)14-6-4-3-5-7-14/h3-7,13,16H,2,8-12H2,1H3,(H2,19,23).
What are the key properties of 2-[4-[(4-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]butanamide?
2-[4-[(4-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]butanamide has a molecular weight of 328.42 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]butanamide is sourced from PubChem (CID 126768826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).