3-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide

C16H18N4O5 — CID 119070099

IUPAC3-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide
SMILESCN1CC2(CCN(C(=O)Nc3ccc4c(c3)oc(=O)n4C)C2)OC1=O
InChIInChI=1S/C16H18N4O5/c1-18-8-16(25-14(18)22)5-6-20(9-16)13(21)17-10-3-4-11-12(7-10)24-15(23)19(11)2/h3-4,7H,5-6,8-9H2,1-2H3,(H,17,21)
InChIKeyCQNRAOCLNKHLGD-UHFFFAOYSA-N
MW346.34 g/mol
LogP1.19
Rot. Bonds1

About 3-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide

3-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide (PubChem CID 119070099) has the molecular formula C16H18N4O5 and a molecular weight of 346.34 g/mol. Its IUPAC name is 3-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide
PubChem CID119070099
Molecular FormulaC16H18N4O5
Molecular Weight346.34 g/mol
Exact Mass346.13
IUPAC Name3-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide
SMILESCN1CC2(CCN(C(=O)Nc3ccc4c(c3)oc(=O)n4C)C2)OC1=O
InChIInChI=1S/C16H18N4O5/c1-18-8-16(25-14(18)22)5-6-20(9-16)13(21)17-10-3-4-11-12(7-10)24-15(23)19(11)2/h3-4,7H,5-6,8-9H2,1-2H3,(H,17,21)
InChIKeyCQNRAOCLNKHLGD-UHFFFAOYSA-N
XLogP1.19
TPSA97.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide?
The IUPAC name of 3-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide (CID 119070099) is 3-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide.
What is the SMILES notation for 3-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide?
The canonical SMILES for 3-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide is CN1CC2(CCN(C(=O)Nc3ccc4c(c3)oc(=O)n4C)C2)OC1=O.
What is the InChIKey of 3-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide?
The InChIKey is CQNRAOCLNKHLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O5/c1-18-8-16(25-14(18)22)5-6-20(9-16)13(21)17-10-3-4-11-12(7-10)24-15(23)19(11)2/h3-4,7H,5-6,8-9H2,1-2H3,(H,17,21).
What are the key properties of 3-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide?
3-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide has a molecular weight of 346.34 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxamide is sourced from PubChem (CID 119070099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).