cis-(1S,2R)-2-cyclopropyl-N-[4-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]phenyl]cyclopropane-1-carboxamide

C17H20N4O2 — CID 97248853

IUPACcis-(1S,2R)-2-cyclopropyl-N-[4-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]phenyl]cyclopropane-1-carboxamide
SMILESCN(C)c1nnc(-c2ccc(NC(=O)[C@H]3C[C@@H]3C3CC3)cc2)o1
InChIInChI=1S/C17H20N4O2/c1-21(2)17-20-19-16(23-17)11-5-7-12(8-6-11)18-15(22)14-9-13(14)10-3-4-10/h5-8,10,13-14H,3-4,9H2,1-2H3,(H,18,22)/t13-,14+/m1/s1
InChIKeyGVKUKZWBBOBHHI-KGLIPLIRSA-N
MW312.37 g/mol
LogP2.79
Rot. Bonds5

About cis-(1S,2R)-2-cyclopropyl-N-[4-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]phenyl]cyclopropane-1-carboxamide

cis-(1S,2R)-2-cyclopropyl-N-[4-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]phenyl]cyclopropane-1-carboxamide (PubChem CID 97248853) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is cis-(1S,2R)-2-cyclopropyl-N-[4-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-2-cyclopropyl-N-[4-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]phenyl]cyclopropane-1-carboxamide
PubChem CID97248853
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Namecis-(1S,2R)-2-cyclopropyl-N-[4-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]phenyl]cyclopropane-1-carboxamide
SMILESCN(C)c1nnc(-c2ccc(NC(=O)[C@H]3C[C@@H]3C3CC3)cc2)o1
InChIInChI=1S/C17H20N4O2/c1-21(2)17-20-19-16(23-17)11-5-7-12(8-6-11)18-15(22)14-9-13(14)10-3-4-10/h5-8,10,13-14H,3-4,9H2,1-2H3,(H,18,22)/t13-,14+/m1/s1
InChIKeyGVKUKZWBBOBHHI-KGLIPLIRSA-N
XLogP2.79
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze cis-(1S,2R)-2-cyclopropyl-N-[4-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]phenyl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

2-chloro-N-[4-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]phenyl]-2-fluoroacetamide
CID 166430932
N-[4-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]phenyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 75390628
5-(4-chlorophenyl)-N,N-dimethyl-1,3,4-oxadiazol-2-amine
CID 1487943
(2S)-1-acetyl-N-[4-[5-[4-[[(2S)-1-acetylpyrrolidine-2-carbonyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidine-2-carboxamide
CID 53302967
(1R,2S)-N-(4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 100939209
1-N,2-N-bis[4-(dimethylamino)phenyl]cyclopropane-1,2-dicarboxamide
CID 109143918
(2S)-2-[[4-[5-[4-[[(2S)-1-carboxypyrrolidine-2-carbonyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]carbamoyl]pyrrolidine-1-carboxylic acid
CID 70941882
2-[[4-(1,3,4-oxadiazol-2-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60940960
tert-butyl (2S)-2-[[4-[5-[4-[[(1R)-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentanecarbonyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]carbamoyl]pyrrolidine-1-carboxylate
CID 58533257
cis-(1R,2S)-2-cyclopropyl-N-(4-hydroxy-3-nitrophenyl)cyclopropane-1-carboxamide
CID 99718466
trans-(1R,2R)-2-cyclopropyl-N-(4-hydroxy-3-nitrophenyl)cyclopropane-1-carboxamide
CID 99718464
(1R,2S,4R,5R)-N-(4-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98126766

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-cyclopropyl-N-[4-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]phenyl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-2-cyclopropyl-N-[4-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]phenyl]cyclopropane-1-carboxamide (CID 97248853) is cis-(1S,2R)-2-cyclopropyl-N-[4-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-2-cyclopropyl-N-[4-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-2-cyclopropyl-N-[4-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]phenyl]cyclopropane-1-carboxamide is CN(C)c1nnc(-c2ccc(NC(=O)[C@H]3C[C@@H]3C3CC3)cc2)o1.
What is the InChIKey of cis-(1S,2R)-2-cyclopropyl-N-[4-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]phenyl]cyclopropane-1-carboxamide?
The InChIKey is GVKUKZWBBOBHHI-KGLIPLIRSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-21(2)17-20-19-16(23-17)11-5-7-12(8-6-11)18-15(22)14-9-13(14)10-3-4-10/h5-8,10,13-14H,3-4,9H2,1-2H3,(H,18,22)/t13-,14+/m1/s1.
What are the key properties of cis-(1S,2R)-2-cyclopropyl-N-[4-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]phenyl]cyclopropane-1-carboxamide?
cis-(1S,2R)-2-cyclopropyl-N-[4-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]phenyl]cyclopropane-1-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-cyclopropyl-N-[4-[5-(dimethylamino)-1,3,4-oxadiazol-2-yl]phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 97248853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).