(4-cyclohexylpiperazin-1-yl)-(2,5-dimethyl-1,3-oxazol-4-yl)methanone

C16H25N3O2 — CID 53195174

IUPAC(4-cyclohexylpiperazin-1-yl)-(2,5-dimethyl-1,3-oxazol-4-yl)methanone
SMILESCc1nc(C(=O)N2CCN(C3CCCCC3)CC2)c(C)o1
InChIInChI=1S/C16H25N3O2/c1-12-15(17-13(2)21-12)16(20)19-10-8-18(9-11-19)14-6-4-3-5-7-14/h14H,3-11H2,1-2H3
InChIKeyUQAVZAAVIWXANL-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.38
Rot. Bonds2

About (4-cyclohexylpiperazin-1-yl)-(2,5-dimethyl-1,3-oxazol-4-yl)methanone

(4-cyclohexylpiperazin-1-yl)-(2,5-dimethyl-1,3-oxazol-4-yl)methanone (PubChem CID 53195174) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is (4-cyclohexylpiperazin-1-yl)-(2,5-dimethyl-1,3-oxazol-4-yl)methanone.

Molecular Properties

Compound Name(4-cyclohexylpiperazin-1-yl)-(2,5-dimethyl-1,3-oxazol-4-yl)methanone
PubChem CID53195174
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name(4-cyclohexylpiperazin-1-yl)-(2,5-dimethyl-1,3-oxazol-4-yl)methanone
SMILESCc1nc(C(=O)N2CCN(C3CCCCC3)CC2)c(C)o1
InChIInChI=1S/C16H25N3O2/c1-12-15(17-13(2)21-12)16(20)19-10-8-18(9-11-19)14-6-4-3-5-7-14/h14H,3-11H2,1-2H3
InChIKeyUQAVZAAVIWXANL-UHFFFAOYSA-N
XLogP2.38
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-cyclohexylpiperazin-1-yl)-(2,5-dimethyl-1,3-oxazol-4-yl)methanone?
The IUPAC name of (4-cyclohexylpiperazin-1-yl)-(2,5-dimethyl-1,3-oxazol-4-yl)methanone (CID 53195174) is (4-cyclohexylpiperazin-1-yl)-(2,5-dimethyl-1,3-oxazol-4-yl)methanone.
What is the SMILES notation for (4-cyclohexylpiperazin-1-yl)-(2,5-dimethyl-1,3-oxazol-4-yl)methanone?
The canonical SMILES for (4-cyclohexylpiperazin-1-yl)-(2,5-dimethyl-1,3-oxazol-4-yl)methanone is Cc1nc(C(=O)N2CCN(C3CCCCC3)CC2)c(C)o1.
What is the InChIKey of (4-cyclohexylpiperazin-1-yl)-(2,5-dimethyl-1,3-oxazol-4-yl)methanone?
The InChIKey is UQAVZAAVIWXANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12-15(17-13(2)21-12)16(20)19-10-8-18(9-11-19)14-6-4-3-5-7-14/h14H,3-11H2,1-2H3.
What are the key properties of (4-cyclohexylpiperazin-1-yl)-(2,5-dimethyl-1,3-oxazol-4-yl)methanone?
(4-cyclohexylpiperazin-1-yl)-(2,5-dimethyl-1,3-oxazol-4-yl)methanone has a molecular weight of 291.39 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexylpiperazin-1-yl)-(2,5-dimethyl-1,3-oxazol-4-yl)methanone is sourced from PubChem (CID 53195174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).