(4-benzylpiperazin-1-yl)-(3-methyl-1,2-oxazol-4-yl)methanone

C16H19N3O2 — CID 110853051

IUPAC(4-benzylpiperazin-1-yl)-(3-methyl-1,2-oxazol-4-yl)methanone
SMILESCc1nocc1C(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H19N3O2/c1-13-15(12-21-17-13)16(20)19-9-7-18(8-10-19)11-14-5-3-2-4-6-14/h2-6,12H,7-11H2,1H3
InChIKeyGKSMAZAAMPAPFD-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.94
Rot. Bonds3

About (4-benzylpiperazin-1-yl)-(3-methyl-1,2-oxazol-4-yl)methanone

(4-benzylpiperazin-1-yl)-(3-methyl-1,2-oxazol-4-yl)methanone (PubChem CID 110853051) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-(3-methyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-(3-methyl-1,2-oxazol-4-yl)methanone
PubChem CID110853051
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name(4-benzylpiperazin-1-yl)-(3-methyl-1,2-oxazol-4-yl)methanone
SMILESCc1nocc1C(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H19N3O2/c1-13-15(12-21-17-13)16(20)19-9-7-18(8-10-19)11-14-5-3-2-4-6-14/h2-6,12H,7-11H2,1H3
InChIKeyGKSMAZAAMPAPFD-UHFFFAOYSA-N
XLogP1.94
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[2-(4-benzylpiperazine-1-carbonyl)phenyl]phenyl]-(4-benzylpiperazin-1-yl)methanone
CID 4035755
(4-benzylpiperazin-1-yl)-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
CID 30697310
(4-benzylpiperazin-1-yl)-(3,5-dimethyl-1H-pyrazol-4-yl)methanone
CID 110695185
(1-benzyl-3,5-dimethylpyrazol-4-yl)-(4-benzylpiperazin-1-yl)methanone
CID 9041474
(4-benzylpiperazin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone
CID 59382180
(4-benzylpiperazin-1-yl)-(2-cyclopropyl-4-methylpyrimidin-5-yl)methanone
CID 100752948
(4-benzylpiperazin-1-yl)-(3-methylfuran-2-yl)methanone
CID 110695645
(1-benzyl-5-ethylpyrazol-4-yl)-(4-benzylpiperazin-1-yl)methanone
CID 78874147
(4-benzylpiperazin-1-yl)-(2-propan-2-ylsulfanylphenyl)methanone
CID 9173471
(4-benzylpiperazin-1-yl)-(3-methoxy-1,2-oxazol-5-yl)methanone
CID 90573738
(4-benzylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride
CID 110755805
(4-benzyl-1,4-diazepan-1-yl)-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 46422149

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-(3-methyl-1,2-oxazol-4-yl)methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-(3-methyl-1,2-oxazol-4-yl)methanone (CID 110853051) is (4-benzylpiperazin-1-yl)-(3-methyl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-(3-methyl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-(3-methyl-1,2-oxazol-4-yl)methanone is Cc1nocc1C(=O)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-(3-methyl-1,2-oxazol-4-yl)methanone?
The InChIKey is GKSMAZAAMPAPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-13-15(12-21-17-13)16(20)19-9-7-18(8-10-19)11-14-5-3-2-4-6-14/h2-6,12H,7-11H2,1H3.
What are the key properties of (4-benzylpiperazin-1-yl)-(3-methyl-1,2-oxazol-4-yl)methanone?
(4-benzylpiperazin-1-yl)-(3-methyl-1,2-oxazol-4-yl)methanone has a molecular weight of 285.35 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-(3-methyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 110853051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).