(4-cyclohexylpiperazin-1-yl)-(5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone

C19H29N3O2 — CID 17254417

IUPAC(4-cyclohexylpiperazin-1-yl)-(5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
SMILESCC1CCc2onc(C(=O)N3CCN(C4CCCCC4)CC3)c2C1
InChIInChI=1S/C19H29N3O2/c1-14-7-8-17-16(13-14)18(20-24-17)19(23)22-11-9-21(10-12-22)15-5-3-2-4-6-15/h14-15H,2-13H2,1H3
InChIKeyAWYPAFUEDUBTQZ-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.89
Rot. Bonds2

About (4-cyclohexylpiperazin-1-yl)-(5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone

(4-cyclohexylpiperazin-1-yl)-(5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone (PubChem CID 17254417) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is (4-cyclohexylpiperazin-1-yl)-(5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone.

Molecular Properties

Compound Name(4-cyclohexylpiperazin-1-yl)-(5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
PubChem CID17254417
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name(4-cyclohexylpiperazin-1-yl)-(5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
SMILESCC1CCc2onc(C(=O)N3CCN(C4CCCCC4)CC3)c2C1
InChIInChI=1S/C19H29N3O2/c1-14-7-8-17-16(13-14)18(20-24-17)19(23)22-11-9-21(10-12-22)15-5-3-2-4-6-15/h14-15H,2-13H2,1H3
InChIKeyAWYPAFUEDUBTQZ-UHFFFAOYSA-N
XLogP2.89
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-cyclohexylpiperazin-1-yl)-(5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone with MolForge

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Related Compounds

N-(2-Cyclohexyl-1,5-dimethyl-3-oxo-2,3-dihydro-1H-pyrazol-4-yl)-5-(4,4-dimethylcyclohexyl)-4-methyl isoxazole-3-carboxamide
CID 118511102
5-tert-butyl-N-cyclopentyl-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide
CID 3238565
4-Benzylpiperazinyl 4,5,6,7-tetrahydrobenzo[2,1-d]isoxazol-3-yl ketone
CID 3238948
N-(2-methylpropyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 5307938
N,N,5-tricyclohexyl-1,2-oxazole-3-carboxamide
CID 56955980
5-Cyclohexyl-N-(2-cyclohexyl-1,5-dimethyl-3-oxo-2,3-dihydro-1H-pyrazol-4-yl)-4-methylisoxazole-3-carboxamide
CID 118511086
3-(Morpholin-4-ylcarbonyl)-4,5,6,7-tetrahydro-1,2-benzisoxazole
CID 3236189
5-Methyl(4,5,6,7-tetrahydrobenzo[2,1-d]isoxazol-3-yl) 4-phenylpiperazinyl keto ne
CID 16023540
5-Tert-butyl-3-(morpholin-4-ylcarbonyl)-4,5,6,7-tetrahydro-1,2-benzisoxazole
CID 3237193
3-(Piperidin-1-ylcarbonyl)-4,5,6,7-tetrahydro-1,2-benzisoxazole
CID 3237875
3-[(4-Benzhydrylpiperazin-1-yl)carbonyl]-4,5,6,7-tetrahydro-1,2-benzisoxazole
CID 3242141
3-(4-Cyclohexylpiperazine-1-carbonyl)-4,5,6,7-tetrahydro-1,2-benzoxazole
CID 20923911

Frequently Asked Questions

What is the IUPAC name of (4-cyclohexylpiperazin-1-yl)-(5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone?
The IUPAC name of (4-cyclohexylpiperazin-1-yl)-(5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone (CID 17254417) is (4-cyclohexylpiperazin-1-yl)-(5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone.
What is the SMILES notation for (4-cyclohexylpiperazin-1-yl)-(5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone?
The canonical SMILES for (4-cyclohexylpiperazin-1-yl)-(5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone is CC1CCc2onc(C(=O)N3CCN(C4CCCCC4)CC3)c2C1.
What is the InChIKey of (4-cyclohexylpiperazin-1-yl)-(5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone?
The InChIKey is AWYPAFUEDUBTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-14-7-8-17-16(13-14)18(20-24-17)19(23)22-11-9-21(10-12-22)15-5-3-2-4-6-15/h14-15H,2-13H2,1H3.
What are the key properties of (4-cyclohexylpiperazin-1-yl)-(5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone?
(4-cyclohexylpiperazin-1-yl)-(5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone has a molecular weight of 331.46 g/mol, XLogP of 2.89, 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)-(5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone is sourced from PubChem (CID 17254417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).