1,3-oxazol-5-ylmethyl N-[4-[2-(dimethylcarbamoyl)-2-azaspiro[3.3]heptan-6-yl]-3-fluorophenyl]carbamate

C20H23FN4O4 — CID 171824120

IUPAC1,3-oxazol-5-ylmethyl N-[4-[2-(dimethylcarbamoyl)-2-azaspiro[3.3]heptan-6-yl]-3-fluorophenyl]carbamate
SMILESCN(C)C(=O)N1CC2(CC(c3ccc(NC(=O)OCc4cnco4)cc3F)C2)C1
InChIInChI=1S/C20H23FN4O4/c1-24(2)19(27)25-10-20(11-25)6-13(7-20)16-4-3-14(5-17(16)21)23-18(26)28-9-15-8-22-12-29-15/h3-5,8,12-13H,6-7,9-11H2,1-2H3,(H,23,26)
InChIKeyAUBRSEJIZXQZAN-UHFFFAOYSA-N
MW402.43 g/mol
LogP3.42
Rot. Bonds4

About 1,3-oxazol-5-ylmethyl N-[4-[2-(dimethylcarbamoyl)-2-azaspiro[3.3]heptan-6-yl]-3-fluorophenyl]carbamate

1,3-oxazol-5-ylmethyl N-[4-[2-(dimethylcarbamoyl)-2-azaspiro[3.3]heptan-6-yl]-3-fluorophenyl]carbamate (PubChem CID 171824120) has the molecular formula C20H23FN4O4 and a molecular weight of 402.43 g/mol. Its IUPAC name is 1,3-oxazol-5-ylmethyl N-[4-[2-(dimethylcarbamoyl)-2-azaspiro[3.3]heptan-6-yl]-3-fluorophenyl]carbamate.

Molecular Properties

Compound Name1,3-oxazol-5-ylmethyl N-[4-[2-(dimethylcarbamoyl)-2-azaspiro[3.3]heptan-6-yl]-3-fluorophenyl]carbamate
PubChem CID171824120
Molecular FormulaC20H23FN4O4
Molecular Weight402.43 g/mol
Exact Mass402.17
IUPAC Name1,3-oxazol-5-ylmethyl N-[4-[2-(dimethylcarbamoyl)-2-azaspiro[3.3]heptan-6-yl]-3-fluorophenyl]carbamate
SMILESCN(C)C(=O)N1CC2(CC(c3ccc(NC(=O)OCc4cnco4)cc3F)C2)C1
InChIInChI=1S/C20H23FN4O4/c1-24(2)19(27)25-10-20(11-25)6-13(7-20)16-4-3-14(5-17(16)21)23-18(26)28-9-15-8-22-12-29-15/h3-5,8,12-13H,6-7,9-11H2,1-2H3,(H,23,26)
InChIKeyAUBRSEJIZXQZAN-UHFFFAOYSA-N
XLogP3.42
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Oxazol-5-ylmethyl (4-(2-acetyl-2-azaspiro[3.3]heptan-6-yl)-3-fluorophenyl)carbamate
CID 171824014
Oxazol-5-ylmethyl (4-((2-(dimethylcarbamoyl)-2-azaspiro[3.3]heptan-6-yl)methyl)-3-fluorophenyl)carbamate
CID 171824017
Methyl 6-(2-fluoro-4-(((oxazol-5-ylmethoxy)carbonyl)ami-no)benzyl)-2-azaspiro[3.3]heptane-2-carboxylate
CID 171824027
Oxazol-5-ylmethyl (3-fluoro-4-((2-(methylsulfonyl)-2-azaspiro[3.3]heptan-6-yl)methyl)phenyl)carbamate
CID 171824072
Methyl 4-(2-fluoro-4-(((oxazol-5-ylmethoxy)carbonyl)ami-no)benzyl)piperidine-1-carboxylate
CID 171824083
1,3-oxazol-5-ylmethyl N-[3-fluoro-4-(6-methylsulfonyl-6-azaspiro[3.4]octan-2-yl)phenyl]carbamate
CID 171824179
1,3-oxazol-5-ylmethyl N-[3-fluoro-4-[6-(2-methylpropanoyl)-6-azaspiro[3.4]octan-2-yl]phenyl]carbamate
CID 171824196
Oxazol-5-ylmethyl (4-((2-acetyl-2-azaspiro[3.3]heptan-6-yl)methyl)-3-fluorophenyl)carbamate
CID 171824203
Oxazol-5-ylmethyl (3-fluoro-4-((1-(methylsulfonyl)piperidin-4-yl)methyl)phenyl)carbamate
CID 171824228
Oxazol-5-ylmethyl (3-fluoro-4-((6-propionyl-6-azaspiro[3.4]octan-2-yl)methyl)phenyl)carbamate
CID 171824269
Oxazol-5-ylmethyl (3-fluoro-4-((2-propionyl-2-azaspiro[3.3]heptan-6-yl)methyl)phenyl)carbamate
CID 171824281
Oxazol-5-ylmethyl (4-(1-(2,2,2-trifluoroethyl)piperidin-4-yl)phenyl)carbamate
CID 171824308

Frequently Asked Questions

What is the IUPAC name of 1,3-oxazol-5-ylmethyl N-[4-[2-(dimethylcarbamoyl)-2-azaspiro[3.3]heptan-6-yl]-3-fluorophenyl]carbamate?
The IUPAC name of 1,3-oxazol-5-ylmethyl N-[4-[2-(dimethylcarbamoyl)-2-azaspiro[3.3]heptan-6-yl]-3-fluorophenyl]carbamate (CID 171824120) is 1,3-oxazol-5-ylmethyl N-[4-[2-(dimethylcarbamoyl)-2-azaspiro[3.3]heptan-6-yl]-3-fluorophenyl]carbamate.
What is the SMILES notation for 1,3-oxazol-5-ylmethyl N-[4-[2-(dimethylcarbamoyl)-2-azaspiro[3.3]heptan-6-yl]-3-fluorophenyl]carbamate?
The canonical SMILES for 1,3-oxazol-5-ylmethyl N-[4-[2-(dimethylcarbamoyl)-2-azaspiro[3.3]heptan-6-yl]-3-fluorophenyl]carbamate is CN(C)C(=O)N1CC2(CC(c3ccc(NC(=O)OCc4cnco4)cc3F)C2)C1.
What is the InChIKey of 1,3-oxazol-5-ylmethyl N-[4-[2-(dimethylcarbamoyl)-2-azaspiro[3.3]heptan-6-yl]-3-fluorophenyl]carbamate?
The InChIKey is AUBRSEJIZXQZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O4/c1-24(2)19(27)25-10-20(11-25)6-13(7-20)16-4-3-14(5-17(16)21)23-18(26)28-9-15-8-22-12-29-15/h3-5,8,12-13H,6-7,9-11H2,1-2H3,(H,23,26).
What are the key properties of 1,3-oxazol-5-ylmethyl N-[4-[2-(dimethylcarbamoyl)-2-azaspiro[3.3]heptan-6-yl]-3-fluorophenyl]carbamate?
1,3-oxazol-5-ylmethyl N-[4-[2-(dimethylcarbamoyl)-2-azaspiro[3.3]heptan-6-yl]-3-fluorophenyl]carbamate has a molecular weight of 402.43 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-oxazol-5-ylmethyl N-[4-[2-(dimethylcarbamoyl)-2-azaspiro[3.3]heptan-6-yl]-3-fluorophenyl]carbamate is sourced from PubChem (CID 171824120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).