N-(4-methylcyclohexyl)-3-[(2-oxo-1,3-benzoxazol-3-yl)methyl]-1,2,4-oxadiazole-5-carboxamide

C18H20N4O4 — CID 53130451

IUPACN-(4-methylcyclohexyl)-3-[(2-oxo-1,3-benzoxazol-3-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCC1CCC(NC(=O)c2nc(Cn3c(=O)oc4ccccc43)no2)CC1
InChIInChI=1S/C18H20N4O4/c1-11-6-8-12(9-7-11)19-16(23)17-20-15(21-26-17)10-22-13-4-2-3-5-14(13)25-18(22)24/h2-5,11-12H,6-10H2,1H3,(H,19,23)
InChIKeyDTEVRWFPZPVXEO-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.33
Rot. Bonds4

About N-(4-methylcyclohexyl)-3-[(2-oxo-1,3-benzoxazol-3-yl)methyl]-1,2,4-oxadiazole-5-carboxamide

N-(4-methylcyclohexyl)-3-[(2-oxo-1,3-benzoxazol-3-yl)methyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 53130451) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-3-[(2-oxo-1,3-benzoxazol-3-yl)methyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-3-[(2-oxo-1,3-benzoxazol-3-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID53130451
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC NameN-(4-methylcyclohexyl)-3-[(2-oxo-1,3-benzoxazol-3-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCC1CCC(NC(=O)c2nc(Cn3c(=O)oc4ccccc43)no2)CC1
InChIInChI=1S/C18H20N4O4/c1-11-6-8-12(9-7-11)19-16(23)17-20-15(21-26-17)10-22-13-4-2-3-5-14(13)25-18(22)24/h2-5,11-12H,6-10H2,1H3,(H,19,23)
InChIKeyDTEVRWFPZPVXEO-UHFFFAOYSA-N
XLogP2.33
TPSA103.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(4-methylcyclohexyl)-3-[(2-oxo-1,3-benzoxazol-3-yl)methyl]-1,2,4-oxadiazole-5-carboxamide with MolForge

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Related Compounds

N-[2-(4-methylpiperidin-1-yl)ethyl]-3-[(2-oxo-1,3-benzoxazol-3-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 53130471
3-[(2-oxo-1,3-benzoxazol-3-yl)methyl]-N-(oxolan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 53130446
3-[(5-methyl-2-oxo-1,3-benzoxazol-3-yl)methyl]-N-[3-(4-methylpiperidin-1-yl)propyl]-1,2,4-oxadiazole-5-carboxamide
CID 53130531
N-(1,3-benzodioxol-5-ylmethyl)-3-[(2-oxo-1,3-benzoxazol-3-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 53130439
3-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-1,3-benzoxazol-2-one
CID 114218084
3-[(5-methyl-2-oxo-1,3-benzoxazol-3-yl)methyl]-N-[(2S)-2-phenylpropyl]-1,2,4-oxadiazole-5-carboxamide
CID 95092424
[2-(cyclopropylamino)-2-oxoethyl]-methyl-[(2-oxo-1,3-benzoxazol-3-yl)methyl]azanium
CID 9286106
3-[(5-methyl-2-oxo-1,3-benzoxazol-3-yl)methyl]-N-(3-morpholin-4-ylpropyl)-1,2,4-oxadiazole-5-carboxamide
CID 53130507
N-cyclopropyl-2-[2-(2-oxo-1,3-benzoxazol-3-yl)ethylamino]-2-phenylacetamide
CID 167852166
N-[(3-methoxyphenyl)methyl]-3-[(5-methyl-2-oxo-1,3-benzoxazol-3-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 53130514
N-[(4-methoxyphenyl)methyl]-3-[(5-methyl-2-oxo-1,3-benzoxazol-3-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 53130500
N-cyclopropyl-3-[(4-iodo-3,5-dimethylpyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 17082850

Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-3-[(2-oxo-1,3-benzoxazol-3-yl)methyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-(4-methylcyclohexyl)-3-[(2-oxo-1,3-benzoxazol-3-yl)methyl]-1,2,4-oxadiazole-5-carboxamide (CID 53130451) is N-(4-methylcyclohexyl)-3-[(2-oxo-1,3-benzoxazol-3-yl)methyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-(4-methylcyclohexyl)-3-[(2-oxo-1,3-benzoxazol-3-yl)methyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-(4-methylcyclohexyl)-3-[(2-oxo-1,3-benzoxazol-3-yl)methyl]-1,2,4-oxadiazole-5-carboxamide is CC1CCC(NC(=O)c2nc(Cn3c(=O)oc4ccccc43)no2)CC1.
What is the InChIKey of N-(4-methylcyclohexyl)-3-[(2-oxo-1,3-benzoxazol-3-yl)methyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is DTEVRWFPZPVXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4/c1-11-6-8-12(9-7-11)19-16(23)17-20-15(21-26-17)10-22-13-4-2-3-5-14(13)25-18(22)24/h2-5,11-12H,6-10H2,1H3,(H,19,23).
What are the key properties of N-(4-methylcyclohexyl)-3-[(2-oxo-1,3-benzoxazol-3-yl)methyl]-1,2,4-oxadiazole-5-carboxamide?
N-(4-methylcyclohexyl)-3-[(2-oxo-1,3-benzoxazol-3-yl)methyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 356.38 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-3-[(2-oxo-1,3-benzoxazol-3-yl)methyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 53130451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).