2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]cyclopropane-1-carboxamide

C18H21N3O2 — CID 47023379

IUPAC2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]cyclopropane-1-carboxamide
SMILESCC(C)=CC1C(C(=O)Nc2cccc(-c3nnco3)c2)C1(C)C
InChIInChI=1S/C18H21N3O2/c1-11(2)8-14-15(18(14,3)4)16(22)20-13-7-5-6-12(9-13)17-21-19-10-23-17/h5-10,14-15H,1-4H3,(H,20,22)
InChIKeyVCUCYYPTQIBKRM-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.91
Rot. Bonds4

About 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]cyclopropane-1-carboxamide

2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]cyclopropane-1-carboxamide (PubChem CID 47023379) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]cyclopropane-1-carboxamide
PubChem CID47023379
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]cyclopropane-1-carboxamide
SMILESCC(C)=CC1C(C(=O)Nc2cccc(-c3nnco3)c2)C1(C)C
InChIInChI=1S/C18H21N3O2/c1-11(2)8-14-15(18(14,3)4)16(22)20-13-7-5-6-12(9-13)17-21-19-10-23-17/h5-10,14-15H,1-4H3,(H,20,22)
InChIKeyVCUCYYPTQIBKRM-UHFFFAOYSA-N
XLogP3.91
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

trans-(1R,3S)-2,2-dimethyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 52525045
N-(3-acetamidophenyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 18150617
2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(3-methylsulfanylphenyl)cyclopropane-1-carboxamide
CID 42924020
cis-(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]cyclopropane-1-carboxamide
CID 39026508
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 42934236
2,2-dimethyl-3-(2-methylprop-1-enyl)-N-pyridin-4-ylcyclopropane-1-carboxamide
CID 47141132
3-[[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]-N-ethylbenzamide
CID 18151220
3-[3-(1,3,4-oxadiazol-2-yl)anilino]-3-oxopropanoic acid
CID 55049776
2-methyl-3-[3-(1,3,4-oxadiazol-2-yl)anilino]-3-oxopropanoic acid
CID 114897786
trans-(1R,3S)-N-dibenzofuran-3-yl-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 7319376
3-ethylsulfanyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 87002332
2-(4-chlorophenyl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]cyclopropane-1-carboxamide
CID 75370009

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]cyclopropane-1-carboxamide (CID 47023379) is 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]cyclopropane-1-carboxamide is CC(C)=CC1C(C(=O)Nc2cccc(-c3nnco3)c2)C1(C)C.
What is the InChIKey of 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is VCUCYYPTQIBKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-11(2)8-14-15(18(14,3)4)16(22)20-13-7-5-6-12(9-13)17-21-19-10-23-17/h5-10,14-15H,1-4H3,(H,20,22).
What are the key properties of 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]cyclopropane-1-carboxamide?
2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 311.38 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 47023379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).