cis-(1R,2S)-N-methyl-2-(3-methylphenyl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropane-1-carboxamide

C20H20N4O2 — CID 95769380

IUPACcis-(1R,2S)-N-methyl-2-(3-methylphenyl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropane-1-carboxamide
SMILESCc1cccc([C@H]2C[C@H]2C(=O)N(C)Cc2nc(-c3cccnc3)no2)c1
InChIInChI=1S/C20H20N4O2/c1-13-5-3-6-14(9-13)16-10-17(16)20(25)24(2)12-18-22-19(23-26-18)15-7-4-8-21-11-15/h3-9,11,16-17H,10,12H2,1-2H3/t16-,17-/m1/s1
InChIKeySFACKQSDPQJLMU-IAGOWNOFSA-N
MW348.41 g/mol
LogP3.20
Rot. Bonds5

About cis-(1R,2S)-N-methyl-2-(3-methylphenyl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropane-1-carboxamide

cis-(1R,2S)-N-methyl-2-(3-methylphenyl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropane-1-carboxamide (PubChem CID 95769380) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is cis-(1R,2S)-N-methyl-2-(3-methylphenyl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-N-methyl-2-(3-methylphenyl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropane-1-carboxamide
PubChem CID95769380
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Namecis-(1R,2S)-N-methyl-2-(3-methylphenyl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropane-1-carboxamide
SMILESCc1cccc([C@H]2C[C@H]2C(=O)N(C)Cc2nc(-c3cccnc3)no2)c1
InChIInChI=1S/C20H20N4O2/c1-13-5-3-6-14(9-13)16-10-17(16)20(25)24(2)12-18-22-19(23-26-18)15-7-4-8-21-11-15/h3-9,11,16-17H,10,12H2,1-2H3/t16-,17-/m1/s1
InChIKeySFACKQSDPQJLMU-IAGOWNOFSA-N
XLogP3.20
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,5-dimethyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-indazole-7-carboxamide
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3-ethyl-N-methyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-1H-indole-2-carboxamide
CID 70754814
2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)acetamide
CID 173127874
N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
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3-[methyl-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]propanoic acid;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-methyl-2-(3-methylphenyl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-N-methyl-2-(3-methylphenyl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropane-1-carboxamide (CID 95769380) is cis-(1R,2S)-N-methyl-2-(3-methylphenyl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-N-methyl-2-(3-methylphenyl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-N-methyl-2-(3-methylphenyl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropane-1-carboxamide is Cc1cccc([C@H]2C[C@H]2C(=O)N(C)Cc2nc(-c3cccnc3)no2)c1.
What is the InChIKey of cis-(1R,2S)-N-methyl-2-(3-methylphenyl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropane-1-carboxamide?
The InChIKey is SFACKQSDPQJLMU-IAGOWNOFSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-13-5-3-6-14(9-13)16-10-17(16)20(25)24(2)12-18-22-19(23-26-18)15-7-4-8-21-11-15/h3-9,11,16-17H,10,12H2,1-2H3/t16-,17-/m1/s1.
What are the key properties of cis-(1R,2S)-N-methyl-2-(3-methylphenyl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropane-1-carboxamide?
cis-(1R,2S)-N-methyl-2-(3-methylphenyl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropane-1-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-methyl-2-(3-methylphenyl)-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 95769380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).