3-[(3,4-difluorophenyl)methyl]-4-(5-methyl-1,2-oxazole-3-carbonyl)-1-oxa-3,4-diazaspiro[4.5]decan-2-one

C19H19F2N3O4 — CID 69278722

IUPAC3-[(3,4-difluorophenyl)methyl]-4-(5-methyl-1,2-oxazole-3-carbonyl)-1-oxa-3,4-diazaspiro[4.5]decan-2-one
SMILESCc1cc(C(=O)N2N(Cc3ccc(F)c(F)c3)C(=O)OC23CCCCC3)no1
InChIInChI=1S/C19H19F2N3O4/c1-12-9-16(22-28-12)17(25)24-19(7-3-2-4-8-19)27-18(26)23(24)11-13-5-6-14(20)15(21)10-13/h5-6,9-10H,2-4,7-8,11H2,1H3
InChIKeyOUXJHMDTPRLVAO-UHFFFAOYSA-N
MW391.37 g/mol
LogP3.93
Rot. Bonds3

About 3-[(3,4-difluorophenyl)methyl]-4-(5-methyl-1,2-oxazole-3-carbonyl)-1-oxa-3,4-diazaspiro[4.5]decan-2-one

3-[(3,4-difluorophenyl)methyl]-4-(5-methyl-1,2-oxazole-3-carbonyl)-1-oxa-3,4-diazaspiro[4.5]decan-2-one (PubChem CID 69278722) has the molecular formula C19H19F2N3O4 and a molecular weight of 391.37 g/mol. Its IUPAC name is 3-[(3,4-difluorophenyl)methyl]-4-(5-methyl-1,2-oxazole-3-carbonyl)-1-oxa-3,4-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-[(3,4-difluorophenyl)methyl]-4-(5-methyl-1,2-oxazole-3-carbonyl)-1-oxa-3,4-diazaspiro[4.5]decan-2-one
PubChem CID69278722
Molecular FormulaC19H19F2N3O4
Molecular Weight391.37 g/mol
Exact Mass391.13
IUPAC Name3-[(3,4-difluorophenyl)methyl]-4-(5-methyl-1,2-oxazole-3-carbonyl)-1-oxa-3,4-diazaspiro[4.5]decan-2-one
SMILESCc1cc(C(=O)N2N(Cc3ccc(F)c(F)c3)C(=O)OC23CCCCC3)no1
InChIInChI=1S/C19H19F2N3O4/c1-12-9-16(22-28-12)17(25)24-19(7-3-2-4-8-19)27-18(26)23(24)11-13-5-6-14(20)15(21)10-13/h5-6,9-10H,2-4,7-8,11H2,1H3
InChIKeyOUXJHMDTPRLVAO-UHFFFAOYSA-N
XLogP3.93
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.37
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3,4-difluorophenyl)methyl]-8-(5-methyl-1,2-oxazole-3-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 66901945
1-[(3,4-difluorophenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 82924183
[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 51154217
5-[3-[(2-fluorophenyl)methyl]-2-oxo-1-oxa-3,4-diazaspiro[4.5]decan-4-yl]-3-methyl-5-oxopentanoic acid
CID 90690641
N-[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 42123595
2-(3,4-difluorophenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]acetamide
CID 55528029
[(1S,5S,7R)-3-[(4-chlorophenyl)methyl]-4,4-dioxo-11-oxa-4λ6-thia-3,9-diazatricyclo[5.3.1.01,5]undecan-9-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 97441498
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 51176978
5-methyl-N-[(3-methyloxetan-3-yl)methyl]-1,2-oxazole-3-carboxamide
CID 78956870
N-(3,4-difluorophenyl)-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110428961
N'-[2-(3,4-difluorophenyl)acetyl]-3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carbohydrazide
CID 6736047
(3S)-1-[(3,4-difluorophenyl)methyl]-3-[(1,3-dihydroxypropan-2-ylamino)methyl]-3-hydroxypiperidin-2-one
CID 95227354

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-difluorophenyl)methyl]-4-(5-methyl-1,2-oxazole-3-carbonyl)-1-oxa-3,4-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-[(3,4-difluorophenyl)methyl]-4-(5-methyl-1,2-oxazole-3-carbonyl)-1-oxa-3,4-diazaspiro[4.5]decan-2-one (CID 69278722) is 3-[(3,4-difluorophenyl)methyl]-4-(5-methyl-1,2-oxazole-3-carbonyl)-1-oxa-3,4-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-[(3,4-difluorophenyl)methyl]-4-(5-methyl-1,2-oxazole-3-carbonyl)-1-oxa-3,4-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-[(3,4-difluorophenyl)methyl]-4-(5-methyl-1,2-oxazole-3-carbonyl)-1-oxa-3,4-diazaspiro[4.5]decan-2-one is Cc1cc(C(=O)N2N(Cc3ccc(F)c(F)c3)C(=O)OC23CCCCC3)no1.
What is the InChIKey of 3-[(3,4-difluorophenyl)methyl]-4-(5-methyl-1,2-oxazole-3-carbonyl)-1-oxa-3,4-diazaspiro[4.5]decan-2-one?
The InChIKey is OUXJHMDTPRLVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O4/c1-12-9-16(22-28-12)17(25)24-19(7-3-2-4-8-19)27-18(26)23(24)11-13-5-6-14(20)15(21)10-13/h5-6,9-10H,2-4,7-8,11H2,1H3.
What are the key properties of 3-[(3,4-difluorophenyl)methyl]-4-(5-methyl-1,2-oxazole-3-carbonyl)-1-oxa-3,4-diazaspiro[4.5]decan-2-one?
3-[(3,4-difluorophenyl)methyl]-4-(5-methyl-1,2-oxazole-3-carbonyl)-1-oxa-3,4-diazaspiro[4.5]decan-2-one has a molecular weight of 391.37 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-difluorophenyl)methyl]-4-(5-methyl-1,2-oxazole-3-carbonyl)-1-oxa-3,4-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 69278722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).