2-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one

C15H20ClN3O3 — CID 56754401

IUPAC2-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCN1CCCC2(CCN(C(=O)CCc3cc(Cl)no3)C2)C1=O
InChIInChI=1S/C15H20ClN3O3/c1-18-7-2-5-15(14(18)21)6-8-19(10-15)13(20)4-3-11-9-12(16)17-22-11/h9H,2-8,10H2,1H3
InChIKeyJJNZMBWDYCBRPY-UHFFFAOYSA-N
MW325.80 g/mol
LogP1.73
Rot. Bonds3

About 2-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one

2-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 56754401) has the molecular formula C15H20ClN3O3 and a molecular weight of 325.80 g/mol. Its IUPAC name is 2-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID56754401
Molecular FormulaC15H20ClN3O3
Molecular Weight325.80 g/mol
Exact Mass325.12
IUPAC Name2-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCN1CCCC2(CCN(C(=O)CCc3cc(Cl)no3)C2)C1=O
InChIInChI=1S/C15H20ClN3O3/c1-18-7-2-5-15(14(18)21)6-8-19(10-15)13(20)4-3-11-9-12(16)17-22-11/h9H,2-8,10H2,1H3
InChIKeyJJNZMBWDYCBRPY-UHFFFAOYSA-N
XLogP1.73
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one (CID 56754401) is 2-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one is CN1CCCC2(CCN(C(=O)CCc3cc(Cl)no3)C2)C1=O.
What is the InChIKey of 2-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is JJNZMBWDYCBRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O3/c1-18-7-2-5-15(14(18)21)6-8-19(10-15)13(20)4-3-11-9-12(16)17-22-11/h9H,2-8,10H2,1H3.
What are the key properties of 2-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
2-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 325.80 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 56754401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).