N-[2-(5-chloro-1,3-benzoxazol-2-yl)-2-azaspiro[3.3]heptan-6-yl]-2,2-difluorocyclopropane-1-carboxamide

C17H16ClF2N3O2 — CID 163367723

IUPACN-[2-(5-chloro-1,3-benzoxazol-2-yl)-2-azaspiro[3.3]heptan-6-yl]-2,2-difluorocyclopropane-1-carboxamide
SMILESO=C(NC1CC2(C1)CN(c1nc3cc(Cl)ccc3o1)C2)C1CC1(F)F
InChIInChI=1S/C17H16ClF2N3O2/c18-9-1-2-13-12(3-9)22-15(25-13)23-7-16(8-23)4-10(5-16)21-14(24)11-6-17(11,19)20/h1-3,10-11H,4-8H2,(H,21,24)
InChIKeySYKUYLVLQKNNPA-UHFFFAOYSA-N
MW367.78 g/mol
LogP3.22
Rot. Bonds3

About N-[2-(5-chloro-1,3-benzoxazol-2-yl)-2-azaspiro[3.3]heptan-6-yl]-2,2-difluorocyclopropane-1-carboxamide

N-[2-(5-chloro-1,3-benzoxazol-2-yl)-2-azaspiro[3.3]heptan-6-yl]-2,2-difluorocyclopropane-1-carboxamide (PubChem CID 163367723) has the molecular formula C17H16ClF2N3O2 and a molecular weight of 367.78 g/mol. Its IUPAC name is N-[2-(5-chloro-1,3-benzoxazol-2-yl)-2-azaspiro[3.3]heptan-6-yl]-2,2-difluorocyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(5-chloro-1,3-benzoxazol-2-yl)-2-azaspiro[3.3]heptan-6-yl]-2,2-difluorocyclopropane-1-carboxamide
PubChem CID163367723
Molecular FormulaC17H16ClF2N3O2
Molecular Weight367.78 g/mol
Exact Mass367.09
IUPAC NameN-[2-(5-chloro-1,3-benzoxazol-2-yl)-2-azaspiro[3.3]heptan-6-yl]-2,2-difluorocyclopropane-1-carboxamide
SMILESO=C(NC1CC2(C1)CN(c1nc3cc(Cl)ccc3o1)C2)C1CC1(F)F
InChIInChI=1S/C17H16ClF2N3O2/c18-9-1-2-13-12(3-9)22-15(25-13)23-7-16(8-23)4-10(5-16)21-14(24)11-6-17(11,19)20/h1-3,10-11H,4-8H2,(H,21,24)
InChIKeySYKUYLVLQKNNPA-UHFFFAOYSA-N
XLogP3.22
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.78
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(5-chloro-1,3-benzoxazol-2-yl)-2-azaspiro[3.3]heptan-6-yl]-2,2-difluorocyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-1,3-benzoxazol-2-yl)-2-azaspiro[3.3]heptan-6-yl]-2,2-difluorocyclopropane-1-carboxamide?
The IUPAC name of N-[2-(5-chloro-1,3-benzoxazol-2-yl)-2-azaspiro[3.3]heptan-6-yl]-2,2-difluorocyclopropane-1-carboxamide (CID 163367723) is N-[2-(5-chloro-1,3-benzoxazol-2-yl)-2-azaspiro[3.3]heptan-6-yl]-2,2-difluorocyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-(5-chloro-1,3-benzoxazol-2-yl)-2-azaspiro[3.3]heptan-6-yl]-2,2-difluorocyclopropane-1-carboxamide?
The canonical SMILES for N-[2-(5-chloro-1,3-benzoxazol-2-yl)-2-azaspiro[3.3]heptan-6-yl]-2,2-difluorocyclopropane-1-carboxamide is O=C(NC1CC2(C1)CN(c1nc3cc(Cl)ccc3o1)C2)C1CC1(F)F.
What is the InChIKey of N-[2-(5-chloro-1,3-benzoxazol-2-yl)-2-azaspiro[3.3]heptan-6-yl]-2,2-difluorocyclopropane-1-carboxamide?
The InChIKey is SYKUYLVLQKNNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF2N3O2/c18-9-1-2-13-12(3-9)22-15(25-13)23-7-16(8-23)4-10(5-16)21-14(24)11-6-17(11,19)20/h1-3,10-11H,4-8H2,(H,21,24).
What are the key properties of N-[2-(5-chloro-1,3-benzoxazol-2-yl)-2-azaspiro[3.3]heptan-6-yl]-2,2-difluorocyclopropane-1-carboxamide?
N-[2-(5-chloro-1,3-benzoxazol-2-yl)-2-azaspiro[3.3]heptan-6-yl]-2,2-difluorocyclopropane-1-carboxamide has a molecular weight of 367.78 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-1,3-benzoxazol-2-yl)-2-azaspiro[3.3]heptan-6-yl]-2,2-difluorocyclopropane-1-carboxamide is sourced from PubChem (CID 163367723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).