3-[2-[2-methyl-3-(morpholine-4-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]-1,3-benzoxazol-2-one

C23H30N4O5 — CID 91911303

IUPAC3-[2-[2-methyl-3-(morpholine-4-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
SMILESCN1CC2(CCN(C(=O)Cn3c(=O)oc4ccccc43)CC2)CC1C(=O)N1CCOCC1
InChIInChI=1S/C23H30N4O5/c1-24-16-23(14-18(24)21(29)26-10-12-31-13-11-26)6-8-25(9-7-23)20(28)15-27-17-4-2-3-5-19(17)32-22(27)30/h2-5,18H,6-16H2,1H3
InChIKeySSPQGZSHNDKLPN-UHFFFAOYSA-N
MW442.52 g/mol
LogP0.77
Rot. Bonds3

About 3-[2-[2-methyl-3-(morpholine-4-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]-1,3-benzoxazol-2-one

3-[2-[2-methyl-3-(morpholine-4-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]-1,3-benzoxazol-2-one (PubChem CID 91911303) has the molecular formula C23H30N4O5 and a molecular weight of 442.52 g/mol. Its IUPAC name is 3-[2-[2-methyl-3-(morpholine-4-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[2-[2-methyl-3-(morpholine-4-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
PubChem CID91911303
Molecular FormulaC23H30N4O5
Molecular Weight442.52 g/mol
Exact Mass442.22
IUPAC Name3-[2-[2-methyl-3-(morpholine-4-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
SMILESCN1CC2(CCN(C(=O)Cn3c(=O)oc4ccccc43)CC2)CC1C(=O)N1CCOCC1
InChIInChI=1S/C23H30N4O5/c1-24-16-23(14-18(24)21(29)26-10-12-31-13-11-26)6-8-25(9-7-23)20(28)15-27-17-4-2-3-5-19(17)32-22(27)30/h2-5,18H,6-16H2,1H3
InChIKeySSPQGZSHNDKLPN-UHFFFAOYSA-N
XLogP0.77
TPSA88.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-methyl-3-(morpholine-4-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-[2-[2-methyl-3-(morpholine-4-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]-1,3-benzoxazol-2-one (CID 91911303) is 3-[2-[2-methyl-3-(morpholine-4-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[2-[2-methyl-3-(morpholine-4-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[2-[2-methyl-3-(morpholine-4-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]-1,3-benzoxazol-2-one is CN1CC2(CCN(C(=O)Cn3c(=O)oc4ccccc43)CC2)CC1C(=O)N1CCOCC1.
What is the InChIKey of 3-[2-[2-methyl-3-(morpholine-4-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]-1,3-benzoxazol-2-one?
The InChIKey is SSPQGZSHNDKLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O5/c1-24-16-23(14-18(24)21(29)26-10-12-31-13-11-26)6-8-25(9-7-23)20(28)15-27-17-4-2-3-5-19(17)32-22(27)30/h2-5,18H,6-16H2,1H3.
What are the key properties of 3-[2-[2-methyl-3-(morpholine-4-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]-1,3-benzoxazol-2-one?
3-[2-[2-methyl-3-(morpholine-4-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]-1,3-benzoxazol-2-one has a molecular weight of 442.52 g/mol, XLogP of 0.77, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-methyl-3-(morpholine-4-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 91911303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).