2-chloro-N-[4-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]phenyl]-2-fluoroacetamide

C12H12ClFN4O2 — CID 166430932

IUPAC2-chloro-N-[4-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]phenyl]-2-fluoroacetamide
SMILESCN(C)c1nnc(-c2ccc(NC(=O)C(F)Cl)cc2)o1
InChIInChI=1S/C12H12ClFN4O2/c1-18(2)12-17-16-11(20-12)7-3-5-8(6-4-7)15-10(19)9(13)14/h3-6,9H,1-2H3,(H,15,19)
InChIKeyMRVXCSDCFHEUMZ-UHFFFAOYSA-N
MW298.71 g/mol
LogP2.28
Rot. Bonds4

About 2-chloro-N-[4-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]phenyl]-2-fluoroacetamide

2-chloro-N-[4-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]phenyl]-2-fluoroacetamide (PubChem CID 166430932) has the molecular formula C12H12ClFN4O2 and a molecular weight of 298.71 g/mol. Its IUPAC name is 2-chloro-N-[4-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]phenyl]-2-fluoroacetamide.

Molecular Properties

Compound Name2-chloro-N-[4-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]phenyl]-2-fluoroacetamide
PubChem CID166430932
Molecular FormulaC12H12ClFN4O2
Molecular Weight298.71 g/mol
Exact Mass298.06
IUPAC Name2-chloro-N-[4-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]phenyl]-2-fluoroacetamide
SMILESCN(C)c1nnc(-c2ccc(NC(=O)C(F)Cl)cc2)o1
InChIInChI=1S/C12H12ClFN4O2/c1-18(2)12-17-16-11(20-12)7-3-5-8(6-4-7)15-10(19)9(13)14/h3-6,9H,1-2H3,(H,15,19)
InChIKeyMRVXCSDCFHEUMZ-UHFFFAOYSA-N
XLogP2.28
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.71
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[4-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]phenyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 75390628
cis-(1S,2R)-2-cyclopropyl-N-[4-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]phenyl]cyclopropane-1-carboxamide
CID 97248853
5-(4-chlorophenyl)-N,N-dimethyl-1,3,4-oxadiazol-2-amine
CID 1487943
N-(4-chlorophenyl)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 78564518
3-methyl-N-[4-[5-[4-(3-methylbutanoylamino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]butanamide
CID 132809718
(2S)-N-(4-fluorophenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7556817
2-(4-chlorophenoxy)-N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]propanamide
CID 17359055
(2S)-2-[[(2S)-2-hydroxy-2-phenylacetyl]amino]-N-[4-[5-[4-[2-[[(2S)-2-hydroxy-2-phenylacetyl]amino]propanoylamino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]propanamide
CID 123951171
2-[[(2S)-2-hydroxy-2-phenylacetyl]amino]-N-[4-[5-[4-[2-[[(2S)-2-hydroxy-2-phenylacetyl]amino]propanoylamino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]propanamide
CID 172838448
(2R)-N-(4-acetamidophenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7815978
N-[4-(dimethylamino)phenyl]-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334085
(2R)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide
CID 7633132

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]phenyl]-2-fluoroacetamide?
The IUPAC name of 2-chloro-N-[4-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]phenyl]-2-fluoroacetamide (CID 166430932) is 2-chloro-N-[4-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]phenyl]-2-fluoroacetamide.
What is the SMILES notation for 2-chloro-N-[4-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]phenyl]-2-fluoroacetamide?
The canonical SMILES for 2-chloro-N-[4-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]phenyl]-2-fluoroacetamide is CN(C)c1nnc(-c2ccc(NC(=O)C(F)Cl)cc2)o1.
What is the InChIKey of 2-chloro-N-[4-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]phenyl]-2-fluoroacetamide?
The InChIKey is MRVXCSDCFHEUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN4O2/c1-18(2)12-17-16-11(20-12)7-3-5-8(6-4-7)15-10(19)9(13)14/h3-6,9H,1-2H3,(H,15,19).
What are the key properties of 2-chloro-N-[4-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]phenyl]-2-fluoroacetamide?
2-chloro-N-[4-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]phenyl]-2-fluoroacetamide has a molecular weight of 298.71 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]phenyl]-2-fluoroacetamide is sourced from PubChem (CID 166430932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).