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

C20H22FN3O4 — CID 171824203

IUPAC1,3-oxazol-5-ylmethyl N-[4-[(2-acetyl-2-azaspiro[3.3]heptan-6-yl)methyl]-3-fluorophenyl]carbamate
SMILESCC(=O)N1CC2(CC(Cc3ccc(NC(=O)OCc4cnco4)cc3F)C2)C1
InChIInChI=1S/C20H22FN3O4/c1-13(25)24-10-20(11-24)6-14(7-20)4-15-2-3-16(5-18(15)21)23-19(26)27-9-17-8-22-12-28-17/h2-3,5,8,12,14H,4,6-7,9-11H2,1H3,(H,23,26)
InChIKeyRCZJWPAZLFPVPZ-UHFFFAOYSA-N
MW387.41 g/mol
LogP3.36
Rot. Bonds5

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

1,3-oxazol-5-ylmethyl N-[4-[(2-acetyl-2-azaspiro[3.3]heptan-6-yl)methyl]-3-fluorophenyl]carbamate (PubChem CID 171824203) has the molecular formula C20H22FN3O4 and a molecular weight of 387.41 g/mol. Its IUPAC name is 1,3-oxazol-5-ylmethyl N-[4-[(2-acetyl-2-azaspiro[3.3]heptan-6-yl)methyl]-3-fluorophenyl]carbamate.

Molecular Properties

Compound Name1,3-oxazol-5-ylmethyl N-[4-[(2-acetyl-2-azaspiro[3.3]heptan-6-yl)methyl]-3-fluorophenyl]carbamate
PubChem CID171824203
Molecular FormulaC20H22FN3O4
Molecular Weight387.41 g/mol
Exact Mass387.16
IUPAC Name1,3-oxazol-5-ylmethyl N-[4-[(2-acetyl-2-azaspiro[3.3]heptan-6-yl)methyl]-3-fluorophenyl]carbamate
SMILESCC(=O)N1CC2(CC(Cc3ccc(NC(=O)OCc4cnco4)cc3F)C2)C1
InChIInChI=1S/C20H22FN3O4/c1-13(25)24-10-20(11-24)6-14(7-20)4-15-2-3-16(5-18(15)21)23-19(26)27-9-17-8-22-12-28-17/h2-3,5,8,12,14H,4,6-7,9-11H2,1H3,(H,23,26)
InChIKeyRCZJWPAZLFPVPZ-UHFFFAOYSA-N
XLogP3.36
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 53.36
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)methyl]-3-fluorophenyl]carbamate?
The IUPAC name of 1,3-oxazol-5-ylmethyl N-[4-[(2-acetyl-2-azaspiro[3.3]heptan-6-yl)methyl]-3-fluorophenyl]carbamate (CID 171824203) is 1,3-oxazol-5-ylmethyl N-[4-[(2-acetyl-2-azaspiro[3.3]heptan-6-yl)methyl]-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)methyl]-3-fluorophenyl]carbamate?
The canonical SMILES for 1,3-oxazol-5-ylmethyl N-[4-[(2-acetyl-2-azaspiro[3.3]heptan-6-yl)methyl]-3-fluorophenyl]carbamate is CC(=O)N1CC2(CC(Cc3ccc(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)methyl]-3-fluorophenyl]carbamate?
The InChIKey is RCZJWPAZLFPVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O4/c1-13(25)24-10-20(11-24)6-14(7-20)4-15-2-3-16(5-18(15)21)23-19(26)27-9-17-8-22-12-28-17/h2-3,5,8,12,14H,4,6-7,9-11H2,1H3,(H,23,26).
What are the key properties of 1,3-oxazol-5-ylmethyl N-[4-[(2-acetyl-2-azaspiro[3.3]heptan-6-yl)methyl]-3-fluorophenyl]carbamate?
1,3-oxazol-5-ylmethyl N-[4-[(2-acetyl-2-azaspiro[3.3]heptan-6-yl)methyl]-3-fluorophenyl]carbamate has a molecular weight of 387.41 g/mol, XLogP of 3.36, 5 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)methyl]-3-fluorophenyl]carbamate is sourced from PubChem (CID 171824203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).