1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone

C18H20N2O4 — CID 1249903

IUPAC1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone
SMILESCc1ccc(-c2cc(C(=O)N3CCC4(CC3)OCCO4)no2)cc1
InChIInChI=1S/C18H20N2O4/c1-13-2-4-14(5-3-13)16-12-15(19-24-16)17(21)20-8-6-18(7-9-20)22-10-11-23-18/h2-5,12H,6-11H2,1H3
InChIKeyDRKZBTCBPDNTGS-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.63
Rot. Bonds2

About 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone (PubChem CID 1249903) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone.

Molecular Properties

Compound Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone
PubChem CID1249903
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone
SMILESCc1ccc(-c2cc(C(=O)N3CCC4(CC3)OCCO4)no2)cc1
InChIInChI=1S/C18H20N2O4/c1-13-2-4-14(5-3-13)16-12-15(19-24-16)17(21)20-8-6-18(7-9-20)22-10-11-23-18/h2-5,12H,6-11H2,1H3
InChIKeyDRKZBTCBPDNTGS-UHFFFAOYSA-N
XLogP2.63
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 1093781
Morpholin-4-yl-(5-p-tolyl-isoxazol-3-yl)-methanone
CID 1093793
Azepan-1-yl-(5-phenyl-isoxazol-3-yl)-methanone
CID 1093742
N-cyclohexyl-5-(4-methylphenyl)-3-isoxazolecarboxamide
CID 1093785
Azepan-1-yl-(5-p-tolyl-isoxazol-3-yl)-methanone
CID 1093787
5-Phenylisoxazol-3-yl 4-phenylpiperazinyl ketone
CID 1250455
N-[3-(4-morpholinyl)propyl]-5-phenyl-3-isoxazolecarboxamide
CID 2217157
N-cyclohexyl-N-methyl-5-phenyl-1,2-oxazole-3-carboxamide
CID 3158158
5-(3-Methoxyphenyl)isoxazol-3-yl morpholin-4-yl ketone
CID 17252862
5-(3-hydroxyphenyl)-N-[2-(4-morpholinyl)ethyl]-3-isoxazolecarboxamide
CID 17253008
4-[5-(4-Fluorophenyl)-1,2-oxazole-3-carbonyl]morpholine
CID 22427390
(5-Phenyl-3-isoxazolyl)-(1-pyrrolidinyl)methanone
CID 973874

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone?
The IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone (CID 1249903) is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone.
What is the SMILES notation for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone?
The canonical SMILES for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone is Cc1ccc(-c2cc(C(=O)N3CCC4(CC3)OCCO4)no2)cc1.
What is the InChIKey of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone?
The InChIKey is DRKZBTCBPDNTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-13-2-4-14(5-3-13)16-12-15(19-24-16)17(21)20-8-6-18(7-9-20)22-10-11-23-18/h2-5,12H,6-11H2,1H3.
What are the key properties of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone?
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone has a molecular weight of 328.37 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 1249903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).