1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylamino]-N,N-diethylcyclohexane-1-carboxamide

C18H32N4O2 — CID 56792920

IUPAC1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylamino]-N,N-diethylcyclohexane-1-carboxamide
SMILESCCN(CC)C(=O)C1(NCc2nc(C(C)(C)C)no2)CCCCC1
InChIInChI=1S/C18H32N4O2/c1-6-22(7-2)16(23)18(11-9-8-10-12-18)19-13-14-20-15(21-24-14)17(3,4)5/h19H,6-13H2,1-5H3
InChIKeyHYVQTJGRLUHBDG-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.03
Rot. Bonds6

About 1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylamino]-N,N-diethylcyclohexane-1-carboxamide

1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylamino]-N,N-diethylcyclohexane-1-carboxamide (PubChem CID 56792920) has the molecular formula C18H32N4O2 and a molecular weight of 336.48 g/mol. Its IUPAC name is 1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylamino]-N,N-diethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylamino]-N,N-diethylcyclohexane-1-carboxamide
PubChem CID56792920
Molecular FormulaC18H32N4O2
Molecular Weight336.48 g/mol
Exact Mass336.25
IUPAC Name1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylamino]-N,N-diethylcyclohexane-1-carboxamide
SMILESCCN(CC)C(=O)C1(NCc2nc(C(C)(C)C)no2)CCCCC1
InChIInChI=1S/C18H32N4O2/c1-6-22(7-2)16(23)18(11-9-8-10-12-18)19-13-14-20-15(21-24-14)17(3,4)5/h19H,6-13H2,1-5H3
InChIKeyHYVQTJGRLUHBDG-UHFFFAOYSA-N
XLogP3.03
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylamino]-N,N-diethylcyclohexane-1-carboxamide with MolForge

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Related Compounds

1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methylamino]-N,N-diethylcyclohexane-1-carboxamide;hydrochloride
CID 120752471
N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-hydroxyazetidine-1-carboxamide
CID 122566180
3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylamino]propanoic acid
CID 43466334
2-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoyl-ethylamino]acetic acid
CID 119206094
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)butanamide
CID 38416580
1-[[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexane-1-carboxylic acid
CID 79201753
N-[1-(aminomethyl)cyclopentyl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
CID 119567894
4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl-ethylamino]oxolane-3-carboxylic acid
CID 66247880
1-[(2-aminoacetyl)amino]-N,N-diethylcyclohexane-1-carboxamide;hydrochloride
CID 119300648
3-tert-butyl-5-[[2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1,2,4-oxadiazole
CID 166211940
methyl 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl-cyclopentylamino]acetate
CID 80711845
1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]cyclobutane-1-carboxylic acid
CID 81155983

Frequently Asked Questions

What is the IUPAC name of 1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylamino]-N,N-diethylcyclohexane-1-carboxamide?
The IUPAC name of 1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylamino]-N,N-diethylcyclohexane-1-carboxamide (CID 56792920) is 1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylamino]-N,N-diethylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylamino]-N,N-diethylcyclohexane-1-carboxamide?
The canonical SMILES for 1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylamino]-N,N-diethylcyclohexane-1-carboxamide is CCN(CC)C(=O)C1(NCc2nc(C(C)(C)C)no2)CCCCC1.
What is the InChIKey of 1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylamino]-N,N-diethylcyclohexane-1-carboxamide?
The InChIKey is HYVQTJGRLUHBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O2/c1-6-22(7-2)16(23)18(11-9-8-10-12-18)19-13-14-20-15(21-24-14)17(3,4)5/h19H,6-13H2,1-5H3.
What are the key properties of 1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylamino]-N,N-diethylcyclohexane-1-carboxamide?
1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylamino]-N,N-diethylcyclohexane-1-carboxamide has a molecular weight of 336.48 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylamino]-N,N-diethylcyclohexane-1-carboxamide is sourced from PubChem (CID 56792920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).