3-[2-[(4,4-difluorocyclohexyl)amino]cyclopropyl]-N-(3-methyl-1,2-oxazol-5-yl)benzamide

C20H23F2N3O2 — CID 118303981

IUPAC3-[2-[(4,4-difluorocyclohexyl)amino]cyclopropyl]-N-(3-methyl-1,2-oxazol-5-yl)benzamide
SMILESCc1cc(NC(=O)c2cccc(C3CC3NC3CCC(F)(F)CC3)c2)on1
InChIInChI=1S/C20H23F2N3O2/c1-12-9-18(27-25-12)24-19(26)14-4-2-3-13(10-14)16-11-17(16)23-15-5-7-20(21,22)8-6-15/h2-4,9-10,15-17,23H,5-8,11H2,1H3,(H,24,26)
InChIKeyGZUJWEAECZDZSL-UHFFFAOYSA-N
MW375.42 g/mol
LogP4.26
Rot. Bonds5

About 3-[2-[(4,4-difluorocyclohexyl)amino]cyclopropyl]-N-(3-methyl-1,2-oxazol-5-yl)benzamide

3-[2-[(4,4-difluorocyclohexyl)amino]cyclopropyl]-N-(3-methyl-1,2-oxazol-5-yl)benzamide (PubChem CID 118303981) has the molecular formula C20H23F2N3O2 and a molecular weight of 375.42 g/mol. Its IUPAC name is 3-[2-[(4,4-difluorocyclohexyl)amino]cyclopropyl]-N-(3-methyl-1,2-oxazol-5-yl)benzamide.

Molecular Properties

Compound Name3-[2-[(4,4-difluorocyclohexyl)amino]cyclopropyl]-N-(3-methyl-1,2-oxazol-5-yl)benzamide
PubChem CID118303981
Molecular FormulaC20H23F2N3O2
Molecular Weight375.42 g/mol
Exact Mass375.18
IUPAC Name3-[2-[(4,4-difluorocyclohexyl)amino]cyclopropyl]-N-(3-methyl-1,2-oxazol-5-yl)benzamide
SMILESCc1cc(NC(=O)c2cccc(C3CC3NC3CCC(F)(F)CC3)c2)on1
InChIInChI=1S/C20H23F2N3O2/c1-12-9-18(27-25-12)24-19(26)14-4-2-3-13(10-14)16-11-17(16)23-15-5-7-20(21,22)8-6-15/h2-4,9-10,15-17,23H,5-8,11H2,1H3,(H,24,26)
InChIKeyGZUJWEAECZDZSL-UHFFFAOYSA-N
XLogP4.26
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(4,4-difluorocyclohexyl)amino]cyclopropyl]-N-(3-methyl-1,2-oxazol-5-yl)benzamide?
The IUPAC name of 3-[2-[(4,4-difluorocyclohexyl)amino]cyclopropyl]-N-(3-methyl-1,2-oxazol-5-yl)benzamide (CID 118303981) is 3-[2-[(4,4-difluorocyclohexyl)amino]cyclopropyl]-N-(3-methyl-1,2-oxazol-5-yl)benzamide.
What is the SMILES notation for 3-[2-[(4,4-difluorocyclohexyl)amino]cyclopropyl]-N-(3-methyl-1,2-oxazol-5-yl)benzamide?
The canonical SMILES for 3-[2-[(4,4-difluorocyclohexyl)amino]cyclopropyl]-N-(3-methyl-1,2-oxazol-5-yl)benzamide is Cc1cc(NC(=O)c2cccc(C3CC3NC3CCC(F)(F)CC3)c2)on1.
What is the InChIKey of 3-[2-[(4,4-difluorocyclohexyl)amino]cyclopropyl]-N-(3-methyl-1,2-oxazol-5-yl)benzamide?
The InChIKey is GZUJWEAECZDZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N3O2/c1-12-9-18(27-25-12)24-19(26)14-4-2-3-13(10-14)16-11-17(16)23-15-5-7-20(21,22)8-6-15/h2-4,9-10,15-17,23H,5-8,11H2,1H3,(H,24,26).
What are the key properties of 3-[2-[(4,4-difluorocyclohexyl)amino]cyclopropyl]-N-(3-methyl-1,2-oxazol-5-yl)benzamide?
3-[2-[(4,4-difluorocyclohexyl)amino]cyclopropyl]-N-(3-methyl-1,2-oxazol-5-yl)benzamide has a molecular weight of 375.42 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(4,4-difluorocyclohexyl)amino]cyclopropyl]-N-(3-methyl-1,2-oxazol-5-yl)benzamide is sourced from PubChem (CID 118303981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).