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

C17H19N3O3 — CID 171824263

IUPAC1,3-oxazol-5-ylmethyl N-[4-(2-azaspiro[3.3]heptan-6-yl)phenyl]carbamate
SMILESO=C(Nc1ccc(C2CC3(CNC3)C2)cc1)OCc1cnco1
InChIInChI=1S/C17H19N3O3/c21-16(22-8-15-7-18-11-23-15)20-14-3-1-12(2-4-14)13-5-17(6-13)9-19-10-17/h1-4,7,11,13,19H,5-6,8-10H2,(H,20,21)
InChIKeyAANFLPQKJXNOLP-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.89
Rot. Bonds4

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

1,3-oxazol-5-ylmethyl N-[4-(2-azaspiro[3.3]heptan-6-yl)phenyl]carbamate (PubChem CID 171824263) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 1,3-oxazol-5-ylmethyl N-[4-(2-azaspiro[3.3]heptan-6-yl)phenyl]carbamate.

Molecular Properties

Compound Name1,3-oxazol-5-ylmethyl N-[4-(2-azaspiro[3.3]heptan-6-yl)phenyl]carbamate
PubChem CID171824263
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name1,3-oxazol-5-ylmethyl N-[4-(2-azaspiro[3.3]heptan-6-yl)phenyl]carbamate
SMILESO=C(Nc1ccc(C2CC3(CNC3)C2)cc1)OCc1cnco1
InChIInChI=1S/C17H19N3O3/c21-16(22-8-15-7-18-11-23-15)20-14-3-1-12(2-4-14)13-5-17(6-13)9-19-10-17/h1-4,7,11,13,19H,5-6,8-10H2,(H,20,21)
InChIKeyAANFLPQKJXNOLP-UHFFFAOYSA-N
XLogP2.89
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.89
H-Bond Donors ≤ 52
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-azaspiro[3.3]heptan-6-yl)phenyl]carbamate?
The IUPAC name of 1,3-oxazol-5-ylmethyl N-[4-(2-azaspiro[3.3]heptan-6-yl)phenyl]carbamate (CID 171824263) is 1,3-oxazol-5-ylmethyl N-[4-(2-azaspiro[3.3]heptan-6-yl)phenyl]carbamate.
What is the SMILES notation for 1,3-oxazol-5-ylmethyl N-[4-(2-azaspiro[3.3]heptan-6-yl)phenyl]carbamate?
The canonical SMILES for 1,3-oxazol-5-ylmethyl N-[4-(2-azaspiro[3.3]heptan-6-yl)phenyl]carbamate is O=C(Nc1ccc(C2CC3(CNC3)C2)cc1)OCc1cnco1.
What is the InChIKey of 1,3-oxazol-5-ylmethyl N-[4-(2-azaspiro[3.3]heptan-6-yl)phenyl]carbamate?
The InChIKey is AANFLPQKJXNOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c21-16(22-8-15-7-18-11-23-15)20-14-3-1-12(2-4-14)13-5-17(6-13)9-19-10-17/h1-4,7,11,13,19H,5-6,8-10H2,(H,20,21).
What are the key properties of 1,3-oxazol-5-ylmethyl N-[4-(2-azaspiro[3.3]heptan-6-yl)phenyl]carbamate?
1,3-oxazol-5-ylmethyl N-[4-(2-azaspiro[3.3]heptan-6-yl)phenyl]carbamate has a molecular weight of 313.36 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 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-azaspiro[3.3]heptan-6-yl)phenyl]carbamate is sourced from PubChem (CID 171824263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).