1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carbonyl]cyclopentane-1-carbonitrile

C16H22N4O2 — CID 56810437

IUPAC1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carbonyl]cyclopentane-1-carbonitrile
SMILESCc1cc(CN2CCN(C(=O)C3(C#N)CCCC3)CC2)on1
InChIInChI=1S/C16H22N4O2/c1-13-10-14(22-18-13)11-19-6-8-20(9-7-19)15(21)16(12-17)4-2-3-5-16/h10H,2-9,11H2,1H3
InChIKeyVADWRYWPMDGNBX-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.71
Rot. Bonds3

About 1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carbonyl]cyclopentane-1-carbonitrile

1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carbonyl]cyclopentane-1-carbonitrile (PubChem CID 56810437) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carbonyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carbonyl]cyclopentane-1-carbonitrile
PubChem CID56810437
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carbonyl]cyclopentane-1-carbonitrile
SMILESCc1cc(CN2CCN(C(=O)C3(C#N)CCCC3)CC2)on1
InChIInChI=1S/C16H22N4O2/c1-13-10-14(22-18-13)11-19-6-8-20(9-7-19)15(21)16(12-17)4-2-3-5-16/h10H,2-9,11H2,1H3
InChIKeyVADWRYWPMDGNBX-UHFFFAOYSA-N
XLogP1.71
TPSA73.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carbonyl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carbonyl]cyclopentane-1-carbonitrile (CID 56810437) is 1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carbonyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carbonyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carbonyl]cyclopentane-1-carbonitrile is Cc1cc(CN2CCN(C(=O)C3(C#N)CCCC3)CC2)on1.
What is the InChIKey of 1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carbonyl]cyclopentane-1-carbonitrile?
The InChIKey is VADWRYWPMDGNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-13-10-14(22-18-13)11-19-6-8-20(9-7-19)15(21)16(12-17)4-2-3-5-16/h10H,2-9,11H2,1H3.
What are the key properties of 1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carbonyl]cyclopentane-1-carbonitrile?
1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carbonyl]cyclopentane-1-carbonitrile has a molecular weight of 302.38 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carbonyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 56810437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).