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

C19H20FN3O4 — CID 171824014

IUPAC1,3-oxazol-5-ylmethyl N-[4-(2-acetyl-2-azaspiro[3.3]heptan-6-yl)-3-fluorophenyl]carbamate
SMILESCC(=O)N1CC2(CC(c3ccc(NC(=O)OCc4cnco4)cc3F)C2)C1
InChIInChI=1S/C19H20FN3O4/c1-12(24)23-9-19(10-23)5-13(6-19)16-3-2-14(4-17(16)20)22-18(25)26-8-15-7-21-11-27-15/h2-4,7,11,13H,5-6,8-10H2,1H3,(H,22,25)
InChIKeyHQSICZPFERMSDR-UHFFFAOYSA-N
MW373.38 g/mol
LogP3.29
Rot. Bonds4

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

1,3-oxazol-5-ylmethyl N-[4-(2-acetyl-2-azaspiro[3.3]heptan-6-yl)-3-fluorophenyl]carbamate (PubChem CID 171824014) has the molecular formula C19H20FN3O4 and a molecular weight of 373.38 g/mol. Its IUPAC name is 1,3-oxazol-5-ylmethyl N-[4-(2-acetyl-2-azaspiro[3.3]heptan-6-yl)-3-fluorophenyl]carbamate.

Molecular Properties

Compound Name1,3-oxazol-5-ylmethyl N-[4-(2-acetyl-2-azaspiro[3.3]heptan-6-yl)-3-fluorophenyl]carbamate
PubChem CID171824014
Molecular FormulaC19H20FN3O4
Molecular Weight373.38 g/mol
Exact Mass373.14
IUPAC Name1,3-oxazol-5-ylmethyl N-[4-(2-acetyl-2-azaspiro[3.3]heptan-6-yl)-3-fluorophenyl]carbamate
SMILESCC(=O)N1CC2(CC(c3ccc(NC(=O)OCc4cnco4)cc3F)C2)C1
InChIInChI=1S/C19H20FN3O4/c1-12(24)23-9-19(10-23)5-13(6-19)16-3-2-14(4-17(16)20)22-18(25)26-8-15-7-21-11-27-15/h2-4,7,11,13H,5-6,8-10H2,1H3,(H,22,25)
InChIKeyHQSICZPFERMSDR-UHFFFAOYSA-N
XLogP3.29
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-oxazol-5-ylmethyl N-[4-(2-acetyl-2-azaspiro[3.3]heptan-6-yl)-3-fluorophenyl]carbamate?
The IUPAC name of 1,3-oxazol-5-ylmethyl N-[4-(2-acetyl-2-azaspiro[3.3]heptan-6-yl)-3-fluorophenyl]carbamate (CID 171824014) is 1,3-oxazol-5-ylmethyl N-[4-(2-acetyl-2-azaspiro[3.3]heptan-6-yl)-3-fluorophenyl]carbamate.
What is the SMILES notation for 1,3-oxazol-5-ylmethyl N-[4-(2-acetyl-2-azaspiro[3.3]heptan-6-yl)-3-fluorophenyl]carbamate?
The canonical SMILES for 1,3-oxazol-5-ylmethyl N-[4-(2-acetyl-2-azaspiro[3.3]heptan-6-yl)-3-fluorophenyl]carbamate is CC(=O)N1CC2(CC(c3ccc(NC(=O)OCc4cnco4)cc3F)C2)C1.
What is the InChIKey of 1,3-oxazol-5-ylmethyl N-[4-(2-acetyl-2-azaspiro[3.3]heptan-6-yl)-3-fluorophenyl]carbamate?
The InChIKey is HQSICZPFERMSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O4/c1-12(24)23-9-19(10-23)5-13(6-19)16-3-2-14(4-17(16)20)22-18(25)26-8-15-7-21-11-27-15/h2-4,7,11,13H,5-6,8-10H2,1H3,(H,22,25).
What are the key properties of 1,3-oxazol-5-ylmethyl N-[4-(2-acetyl-2-azaspiro[3.3]heptan-6-yl)-3-fluorophenyl]carbamate?
1,3-oxazol-5-ylmethyl N-[4-(2-acetyl-2-azaspiro[3.3]heptan-6-yl)-3-fluorophenyl]carbamate has a molecular weight of 373.38 g/mol, XLogP of 3.29, 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-acetyl-2-azaspiro[3.3]heptan-6-yl)-3-fluorophenyl]carbamate is sourced from PubChem (CID 171824014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).