3-chloro-2,2-dimethyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]propanamide

C14H16ClN3O2 — CID 63679608

IUPAC3-chloro-2,2-dimethyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]propanamide
SMILESCc1ccc(-c2nnco2)cc1NC(=O)C(C)(C)CCl
InChIInChI=1S/C14H16ClN3O2/c1-9-4-5-10(12-18-16-8-20-12)6-11(9)17-13(19)14(2,3)7-15/h4-6,8H,7H2,1-3H3,(H,17,19)
InChIKeyFTHIWROIYUSYHF-UHFFFAOYSA-N
MW293.75 g/mol
LogP3.25
Rot. Bonds4

About 3-chloro-2,2-dimethyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]propanamide

3-chloro-2,2-dimethyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]propanamide (PubChem CID 63679608) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is 3-chloro-2,2-dimethyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-chloro-2,2-dimethyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]propanamide
PubChem CID63679608
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name3-chloro-2,2-dimethyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]propanamide
SMILESCc1ccc(-c2nnco2)cc1NC(=O)C(C)(C)CCl
InChIInChI=1S/C14H16ClN3O2/c1-9-4-5-10(12-18-16-8-20-12)6-11(9)17-13(19)14(2,3)7-15/h4-6,8H,7H2,1-3H3,(H,17,19)
InChIKeyFTHIWROIYUSYHF-UHFFFAOYSA-N
XLogP3.25
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trifluoro-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 63374700
2-amino-2-cyclopropyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 60867901
3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)anilino]-3-oxopropanoic acid
CID 62230630
2-(methylamino)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 43706139
4-(methylamino)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]butanamide
CID 60842599
2-(4-tert-butylphenyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-2-oxoacetamide
CID 75417439
2-chloro-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]furan-3-carboxamide
CID 106685977
N-ethyl-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline
CID 43701914
5-chloro-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 80618296
2-amino-3-methyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]butanamide
CID 43706124
2-amino-3-methyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]pentanamide
CID 43706136
N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-2-pyridin-4-ylsulfanylacetamide
CID 51090247

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,2-dimethyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]propanamide?
The IUPAC name of 3-chloro-2,2-dimethyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]propanamide (CID 63679608) is 3-chloro-2,2-dimethyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]propanamide.
What is the SMILES notation for 3-chloro-2,2-dimethyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]propanamide?
The canonical SMILES for 3-chloro-2,2-dimethyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]propanamide is Cc1ccc(-c2nnco2)cc1NC(=O)C(C)(C)CCl.
What is the InChIKey of 3-chloro-2,2-dimethyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]propanamide?
The InChIKey is FTHIWROIYUSYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-9-4-5-10(12-18-16-8-20-12)6-11(9)17-13(19)14(2,3)7-15/h4-6,8H,7H2,1-3H3,(H,17,19).
What are the key properties of 3-chloro-2,2-dimethyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]propanamide?
3-chloro-2,2-dimethyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]propanamide has a molecular weight of 293.75 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,2-dimethyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]propanamide is sourced from PubChem (CID 63679608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).