3-methyl-N-(6-oxaspiro[4.5]decan-9-yl)-2-oxo-1,3-benzoxazole-7-carboxamide

C18H22N2O4 — CID 138994288

IUPAC3-methyl-N-(6-oxaspiro[4.5]decan-9-yl)-2-oxo-1,3-benzoxazole-7-carboxamide
SMILESCn1c(=O)oc2c(C(=O)NC3CCOC4(CCCC4)C3)cccc21
InChIInChI=1S/C18H22N2O4/c1-20-14-6-4-5-13(15(14)24-17(20)22)16(21)19-12-7-10-23-18(11-12)8-2-3-9-18/h4-6,12H,2-3,7-11H2,1H3,(H,19,21)
InChIKeyKADUVGPLHGXIIF-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.35
Rot. Bonds2

About 3-methyl-N-(6-oxaspiro[4.5]decan-9-yl)-2-oxo-1,3-benzoxazole-7-carboxamide

3-methyl-N-(6-oxaspiro[4.5]decan-9-yl)-2-oxo-1,3-benzoxazole-7-carboxamide (PubChem CID 138994288) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 3-methyl-N-(6-oxaspiro[4.5]decan-9-yl)-2-oxo-1,3-benzoxazole-7-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(6-oxaspiro[4.5]decan-9-yl)-2-oxo-1,3-benzoxazole-7-carboxamide
PubChem CID138994288
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name3-methyl-N-(6-oxaspiro[4.5]decan-9-yl)-2-oxo-1,3-benzoxazole-7-carboxamide
SMILESCn1c(=O)oc2c(C(=O)NC3CCOC4(CCCC4)C3)cccc21
InChIInChI=1S/C18H22N2O4/c1-20-14-6-4-5-13(15(14)24-17(20)22)16(21)19-12-7-10-23-18(11-12)8-2-3-9-18/h4-6,12H,2-3,7-11H2,1H3,(H,19,21)
InChIKeyKADUVGPLHGXIIF-UHFFFAOYSA-N
XLogP2.35
TPSA73.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(6-oxaspiro[4.5]decan-9-yl)-2-oxo-1,3-benzoxazole-7-carboxamide?
The IUPAC name of 3-methyl-N-(6-oxaspiro[4.5]decan-9-yl)-2-oxo-1,3-benzoxazole-7-carboxamide (CID 138994288) is 3-methyl-N-(6-oxaspiro[4.5]decan-9-yl)-2-oxo-1,3-benzoxazole-7-carboxamide.
What is the SMILES notation for 3-methyl-N-(6-oxaspiro[4.5]decan-9-yl)-2-oxo-1,3-benzoxazole-7-carboxamide?
The canonical SMILES for 3-methyl-N-(6-oxaspiro[4.5]decan-9-yl)-2-oxo-1,3-benzoxazole-7-carboxamide is Cn1c(=O)oc2c(C(=O)NC3CCOC4(CCCC4)C3)cccc21.
What is the InChIKey of 3-methyl-N-(6-oxaspiro[4.5]decan-9-yl)-2-oxo-1,3-benzoxazole-7-carboxamide?
The InChIKey is KADUVGPLHGXIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-20-14-6-4-5-13(15(14)24-17(20)22)16(21)19-12-7-10-23-18(11-12)8-2-3-9-18/h4-6,12H,2-3,7-11H2,1H3,(H,19,21).
What are the key properties of 3-methyl-N-(6-oxaspiro[4.5]decan-9-yl)-2-oxo-1,3-benzoxazole-7-carboxamide?
3-methyl-N-(6-oxaspiro[4.5]decan-9-yl)-2-oxo-1,3-benzoxazole-7-carboxamide has a molecular weight of 330.38 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(6-oxaspiro[4.5]decan-9-yl)-2-oxo-1,3-benzoxazole-7-carboxamide is sourced from PubChem (CID 138994288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).