N-[4-(1,3-benzodioxol-5-yloxy)cyclohexyl]-1,2-oxazole-5-carboxamide

C17H18N2O5 — CID 176505408

IUPACN-[4-(1,3-benzodioxol-5-yloxy)cyclohexyl]-1,2-oxazole-5-carboxamide
SMILESO=C(NC1CCC(Oc2ccc3c(c2)OCO3)CC1)c1ccno1
InChIInChI=1S/C17H18N2O5/c20-17(15-7-8-18-24-15)19-11-1-3-12(4-2-11)23-13-5-6-14-16(9-13)22-10-21-14/h5-9,11-12H,1-4,10H2,(H,19,20)
InChIKeyZLZPQJHSQCXIGD-UHFFFAOYSA-N
MW330.34 g/mol
LogP2.52
Rot. Bonds4

About N-[4-(1,3-benzodioxol-5-yloxy)cyclohexyl]-1,2-oxazole-5-carboxamide

N-[4-(1,3-benzodioxol-5-yloxy)cyclohexyl]-1,2-oxazole-5-carboxamide (PubChem CID 176505408) has the molecular formula C17H18N2O5 and a molecular weight of 330.34 g/mol. Its IUPAC name is N-[4-(1,3-benzodioxol-5-yloxy)cyclohexyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(1,3-benzodioxol-5-yloxy)cyclohexyl]-1,2-oxazole-5-carboxamide
PubChem CID176505408
Molecular FormulaC17H18N2O5
Molecular Weight330.34 g/mol
Exact Mass330.12
IUPAC NameN-[4-(1,3-benzodioxol-5-yloxy)cyclohexyl]-1,2-oxazole-5-carboxamide
SMILESO=C(NC1CCC(Oc2ccc3c(c2)OCO3)CC1)c1ccno1
InChIInChI=1S/C17H18N2O5/c20-17(15-7-8-18-24-15)19-11-1-3-12(4-2-11)23-13-5-6-14-16(9-13)22-10-21-14/h5-9,11-12H,1-4,10H2,(H,19,20)
InChIKeyZLZPQJHSQCXIGD-UHFFFAOYSA-N
XLogP2.52
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclobutyl-1,2-oxazole-5-carboxamide
CID 126857173
N-(4-pyrazin-2-yloxycyclohexyl)-1,2-oxazole-5-carboxamide
CID 91626018
N-(4-hydroxycyclohexyl)-1,2-oxazole-5-carboxamide
CID 43389643
1-[4-(1,3-benzodioxol-5-yloxy)cyclohexyl]-3-[(3-fluorophenyl)methyl]urea
CID 175643754
N-[4-(1,3-benzodioxol-5-yloxy)cyclohexyl]-2-(2,5-dimethoxyphenyl)acetamide
CID 175642322
N-[4-(1,3-benzodioxol-5-yloxy)cyclohexyl]-2-cyclopent-2-en-1-ylacetamide
CID 176500485
[4-[[2-(1,3-benzodioxol-5-yloxy)-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]azanium
CID 58591188
N-[4-(1,2,4-triazol-4-yl)cyclohexyl]-1,2-oxazole-5-carboxamide
CID 56702942
[4-[[2-(1,3-benzodioxol-5-yloxy)pyridine-3-carbonyl]amino]cyclohexyl]azanium
CID 58591180
N-(4-aminocyclohexyl)-2-(1,3-benzodioxol-5-yloxy)pyridine-3-carboxamide;hydrochloride
CID 22058434
(E)-3-(1,3-benzodioxol-5-yl)-N-(4-pyrimidin-2-yloxycyclohexyl)prop-2-enamide
CID 90633289
2-[[2-[6-[4-[4-(1,3-benzodioxole-5-carbonylamino)cyclohexyl]oxyphenoxy]-3-pyridinyl]acetyl]amino]benzoic acid
CID 20602274

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzodioxol-5-yloxy)cyclohexyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[4-(1,3-benzodioxol-5-yloxy)cyclohexyl]-1,2-oxazole-5-carboxamide (CID 176505408) is N-[4-(1,3-benzodioxol-5-yloxy)cyclohexyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[4-(1,3-benzodioxol-5-yloxy)cyclohexyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[4-(1,3-benzodioxol-5-yloxy)cyclohexyl]-1,2-oxazole-5-carboxamide is O=C(NC1CCC(Oc2ccc3c(c2)OCO3)CC1)c1ccno1.
What is the InChIKey of N-[4-(1,3-benzodioxol-5-yloxy)cyclohexyl]-1,2-oxazole-5-carboxamide?
The InChIKey is ZLZPQJHSQCXIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5/c20-17(15-7-8-18-24-15)19-11-1-3-12(4-2-11)23-13-5-6-14-16(9-13)22-10-21-14/h5-9,11-12H,1-4,10H2,(H,19,20).
What are the key properties of N-[4-(1,3-benzodioxol-5-yloxy)cyclohexyl]-1,2-oxazole-5-carboxamide?
N-[4-(1,3-benzodioxol-5-yloxy)cyclohexyl]-1,2-oxazole-5-carboxamide has a molecular weight of 330.34 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzodioxol-5-yloxy)cyclohexyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 176505408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).