(5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-(2,6-dimethylpiperidin-1-yl)methanone

C19H30N2O2 — CID 17253370

IUPAC(5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-(2,6-dimethylpiperidin-1-yl)methanone
SMILESCC1CCCC(C)N1C(=O)c1noc2c1CC(C(C)(C)C)CC2
InChIInChI=1S/C19H30N2O2/c1-12-7-6-8-13(2)21(12)18(22)17-15-11-14(19(3,4)5)9-10-16(15)23-20-17/h12-14H,6-11H2,1-5H3
InChIKeyVAWPWBMZIDUEHE-UHFFFAOYSA-N
MW318.46 g/mol
LogP4.23
Rot. Bonds1

About (5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-(2,6-dimethylpiperidin-1-yl)methanone

(5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-(2,6-dimethylpiperidin-1-yl)methanone (PubChem CID 17253370) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is (5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-(2,6-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-(2,6-dimethylpiperidin-1-yl)methanone
PubChem CID17253370
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name(5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-(2,6-dimethylpiperidin-1-yl)methanone
SMILESCC1CCCC(C)N1C(=O)c1noc2c1CC(C(C)(C)C)CC2
InChIInChI=1S/C19H30N2O2/c1-12-7-6-8-13(2)21(12)18(22)17-15-11-14(19(3,4)5)9-10-16(15)23-20-17/h12-14H,6-11H2,1-5H3
InChIKeyVAWPWBMZIDUEHE-UHFFFAOYSA-N
XLogP4.23
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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
N-(2-methylpropyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 5307938
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-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
ethyl 4-[(5S)-5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl]piperazine-1-carboxylate
CID 40445244
3-(4-Cyclohexylpiperazine-1-carbonyl)-4,5,6,7-tetrahydro-1,2-benzoxazole
CID 20923911
N-[2-(dimethylamino)ethyl]-N-ethyl-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide
CID 46280222
N,N-dimethyl-5-[3-(1-methyl-3-piperidinyl)propanoyl]-4,5,6,7-tetrahydroisoxazolo[4,5-c]pyridine-3-carboxamide
CID 72899131
N,N-dimethyl-5-[4-(1-piperidinyl)butanoyl]-4,5,6,7-tetrahydroisoxazolo[4,5-c]pyridine-3-carboxamide
CID 72917960

Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-(2,6-dimethylpiperidin-1-yl)methanone?
The IUPAC name of (5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-(2,6-dimethylpiperidin-1-yl)methanone (CID 17253370) is (5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-(2,6-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-(2,6-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for (5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-(2,6-dimethylpiperidin-1-yl)methanone is CC1CCCC(C)N1C(=O)c1noc2c1CC(C(C)(C)C)CC2.
What is the InChIKey of (5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-(2,6-dimethylpiperidin-1-yl)methanone?
The InChIKey is VAWPWBMZIDUEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-12-7-6-8-13(2)21(12)18(22)17-15-11-14(19(3,4)5)9-10-16(15)23-20-17/h12-14H,6-11H2,1-5H3.
What are the key properties of (5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-(2,6-dimethylpiperidin-1-yl)methanone?
(5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-(2,6-dimethylpiperidin-1-yl)methanone has a molecular weight of 318.46 g/mol, XLogP of 4.23, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-(2,6-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 17253370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).