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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Related Compounds

N-[(4R)-1-oxaspiro[5.5]undecan-4-yl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 99714773
N-(1-oxaspiro[5.5]undecan-4-yl)acetamide
CID 51358556
N-[(1R,3R,4R)-2,2-diethyl-3-methoxy-4-methylcyclobutyl]-3-methyl-2-oxo-1,3-benzoxazole-7-carboxamide
CID 124776852
5-(1-benzofuran-2-yl)-N-(1-oxaspiro[5.5]undecan-4-yl)-1H-pyrazole-4-carboxamide
CID 127984240
1-(3-fluorophenyl)-N-[(4S)-1-oxaspiro[5.5]undecan-4-yl]cyclopropane-1-carboxamide
CID 97077216
N-(5-oxaspiro[3.5]nonan-8-yl)-1H-indole-6-carboxamide
CID 166225824
2-morpholin-4-yl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]benzamide
CID 125165608
6-oxaspiro[4.5]decan-9-ylurea
CID 127598348
N-[(3aR,7aS)-2-(3-methyl-2-oxo-1,3-benzoxazole-7-carbonyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]acetamide
CID 166355013
(2S)-2-hydroxy-N-[(4R)-1-oxaspiro[5.5]undecan-4-yl]-2-phenylacetamide
CID 97235901
N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 124751545
3,6-dimethyl-N-(1-oxaspiro[5.5]undecan-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 71847295

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).