(2S)-N-(4-chlorophenyl)-2-[2-[5-(difluoromethyl)-1,2-oxazol-3-yl]-2-azaspiro[3.3]heptan-6-yl]propanamide

C19H20ClF2N3O2 — CID 175748366

IUPAC(2S)-N-(4-chlorophenyl)-2-[2-[5-(difluoromethyl)-1,2-oxazol-3-yl]-2-azaspiro[3.3]heptan-6-yl]propanamide
SMILESC[C@H](C(=O)Nc1ccc(Cl)cc1)C1CC2(C1)CN(c1cc(C(F)F)on1)C2
InChIInChI=1S/C19H20ClF2N3O2/c1-11(18(26)23-14-4-2-13(20)3-5-14)12-7-19(8-12)9-25(10-19)16-6-15(17(21)22)27-24-16/h2-6,11-12,17H,7-10H2,1H3,(H,23,26)/t11-/m0/s1
InChIKeyWEZKZLGQKYFUMK-NSHDSACASA-N
MW395.84 g/mol
LogP4.76
Rot. Bonds5

About (2S)-N-(4-chlorophenyl)-2-[2-[5-(difluoromethyl)-1,2-oxazol-3-yl]-2-azaspiro[3.3]heptan-6-yl]propanamide

(2S)-N-(4-chlorophenyl)-2-[2-[5-(difluoromethyl)-1,2-oxazol-3-yl]-2-azaspiro[3.3]heptan-6-yl]propanamide (PubChem CID 175748366) has the molecular formula C19H20ClF2N3O2 and a molecular weight of 395.84 g/mol. Its IUPAC name is (2S)-N-(4-chlorophenyl)-2-[2-[5-(difluoromethyl)-1,2-oxazol-3-yl]-2-azaspiro[3.3]heptan-6-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-(4-chlorophenyl)-2-[2-[5-(difluoromethyl)-1,2-oxazol-3-yl]-2-azaspiro[3.3]heptan-6-yl]propanamide
PubChem CID175748366
Molecular FormulaC19H20ClF2N3O2
Molecular Weight395.84 g/mol
Exact Mass395.12
IUPAC Name(2S)-N-(4-chlorophenyl)-2-[2-[5-(difluoromethyl)-1,2-oxazol-3-yl]-2-azaspiro[3.3]heptan-6-yl]propanamide
SMILESC[C@H](C(=O)Nc1ccc(Cl)cc1)C1CC2(C1)CN(c1cc(C(F)F)on1)C2
InChIInChI=1S/C19H20ClF2N3O2/c1-11(18(26)23-14-4-2-13(20)3-5-14)12-7-19(8-12)9-25(10-19)16-6-15(17(21)22)27-24-16/h2-6,11-12,17H,7-10H2,1H3,(H,23,26)/t11-/m0/s1
InChIKeyWEZKZLGQKYFUMK-NSHDSACASA-N
XLogP4.76
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.84
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(4-chlorophenyl)-2-[2-[5-(difluoromethyl)-1,2-oxazol-3-yl]-2-azaspiro[3.3]heptan-6-yl]propanamide
CID 175748345
N-(4-chlorophenyl)-2-(4-ethylcyclohexyl)propanamide
CID 137389651
2-cyclopropyl-N-(3,4-difluorophenyl)propanamide
CID 110428971
N-(4-chlorophenyl)-2-[5-(trifluoromethyl)spiro[2H-furo[2,3-b]pyridine-3,4'-cyclohexane]-1'-yl]propanamide
CID 139533917
(2R)-2-amino-N-(4-chlorophenyl)propanamide
CID 7183165
(2R)-N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)-4-hydroxycyclohexyl]propanamide
CID 121328261
(2R)-N-(4-chlorophenyl)-2-[4-(4-methylphenyl)cyclohexyl]propanamide
CID 158787869
4-[1-(4-acetylanilino)-1-oxopropan-2-yl]-N-(4-chlorophenyl)piperidine-1-carboxamide
CID 46295328
N-(4-chlorophenyl)-2-[4-(2-fluoro-3-methyl-4-pyridinyl)cyclohexyl]propanamide
CID 138490241
N-(4-chlorophenyl)-4-[(2S)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl]piperidine-1-carboxamide
CID 95065411
N-(4-chlorophenyl)-2-[4-(2-methylpyrimidin-4-yl)cyclohexyl]propanamide
CID 138490234
N-(4-chlorophenyl)-2-iodopropanamide
CID 102547197

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-chlorophenyl)-2-[2-[5-(difluoromethyl)-1,2-oxazol-3-yl]-2-azaspiro[3.3]heptan-6-yl]propanamide?
The IUPAC name of (2S)-N-(4-chlorophenyl)-2-[2-[5-(difluoromethyl)-1,2-oxazol-3-yl]-2-azaspiro[3.3]heptan-6-yl]propanamide (CID 175748366) is (2S)-N-(4-chlorophenyl)-2-[2-[5-(difluoromethyl)-1,2-oxazol-3-yl]-2-azaspiro[3.3]heptan-6-yl]propanamide.
What is the SMILES notation for (2S)-N-(4-chlorophenyl)-2-[2-[5-(difluoromethyl)-1,2-oxazol-3-yl]-2-azaspiro[3.3]heptan-6-yl]propanamide?
The canonical SMILES for (2S)-N-(4-chlorophenyl)-2-[2-[5-(difluoromethyl)-1,2-oxazol-3-yl]-2-azaspiro[3.3]heptan-6-yl]propanamide is C[C@H](C(=O)Nc1ccc(Cl)cc1)C1CC2(C1)CN(c1cc(C(F)F)on1)C2.
What is the InChIKey of (2S)-N-(4-chlorophenyl)-2-[2-[5-(difluoromethyl)-1,2-oxazol-3-yl]-2-azaspiro[3.3]heptan-6-yl]propanamide?
The InChIKey is WEZKZLGQKYFUMK-NSHDSACASA-N. The full InChI is InChI=1S/C19H20ClF2N3O2/c1-11(18(26)23-14-4-2-13(20)3-5-14)12-7-19(8-12)9-25(10-19)16-6-15(17(21)22)27-24-16/h2-6,11-12,17H,7-10H2,1H3,(H,23,26)/t11-/m0/s1.
What are the key properties of (2S)-N-(4-chlorophenyl)-2-[2-[5-(difluoromethyl)-1,2-oxazol-3-yl]-2-azaspiro[3.3]heptan-6-yl]propanamide?
(2S)-N-(4-chlorophenyl)-2-[2-[5-(difluoromethyl)-1,2-oxazol-3-yl]-2-azaspiro[3.3]heptan-6-yl]propanamide has a molecular weight of 395.84 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-chlorophenyl)-2-[2-[5-(difluoromethyl)-1,2-oxazol-3-yl]-2-azaspiro[3.3]heptan-6-yl]propanamide is sourced from PubChem (CID 175748366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).