5-(2-cyclopropylphenyl)-N-[(3R,5S)-5-(triazol-1-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole-2-carboxamide

C19H21N7O2 — CID 168909047

IUPAC5-(2-cyclopropylphenyl)-N-[(3R,5S)-5-(triazol-1-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(N[C@H]1CN[C@H](Cn2ccnn2)C1)c1nnc(-c2ccccc2C2CC2)o1
InChIInChI=1S/C19H21N7O2/c27-17(22-13-9-14(20-10-13)11-26-8-7-21-25-26)19-24-23-18(28-19)16-4-2-1-3-15(16)12-5-6-12/h1-4,7-8,12-14,20H,5-6,9-11H2,(H,22,27)/t13-,14+/m1/s1
InChIKeyXTRCNRKGEOGNFO-KGLIPLIRSA-N
MW379.42 g/mol
LogP1.37
Rot. Bonds6

About 5-(2-cyclopropylphenyl)-N-[(3R,5S)-5-(triazol-1-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole-2-carboxamide

5-(2-cyclopropylphenyl)-N-[(3R,5S)-5-(triazol-1-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole-2-carboxamide (PubChem CID 168909047) has the molecular formula C19H21N7O2 and a molecular weight of 379.42 g/mol. Its IUPAC name is 5-(2-cyclopropylphenyl)-N-[(3R,5S)-5-(triazol-1-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(2-cyclopropylphenyl)-N-[(3R,5S)-5-(triazol-1-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole-2-carboxamide
PubChem CID168909047
Molecular FormulaC19H21N7O2
Molecular Weight379.42 g/mol
Exact Mass379.18
IUPAC Name5-(2-cyclopropylphenyl)-N-[(3R,5S)-5-(triazol-1-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(N[C@H]1CN[C@H](Cn2ccnn2)C1)c1nnc(-c2ccccc2C2CC2)o1
InChIInChI=1S/C19H21N7O2/c27-17(22-13-9-14(20-10-13)11-26-8-7-21-25-26)19-24-23-18(28-19)16-4-2-1-3-15(16)12-5-6-12/h1-4,7-8,12-14,20H,5-6,9-11H2,(H,22,27)/t13-,14+/m1/s1
InChIKeyXTRCNRKGEOGNFO-KGLIPLIRSA-N
XLogP1.37
TPSA110.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-[2-cyclopropyl-5-(trifluoromethoxy)phenyl]-N-[(3R,5S)-5-(triazol-2-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole-2-carboxamide
CID 168909043
tert-butyl (2S,4R)-4-[[5-[2-cyclopropyl-5-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole-2-carbonyl]amino]-2-(triazol-1-ylmethyl)pyrrolidine-1-carboxylate
CID 168909099
5-[2-propyl-5-(trifluoromethoxy)phenyl]-N-[(3R,5S)-5-(triazol-1-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole-2-carboxamide
CID 168909114
N-[(3R,5S)-5-(triazol-1-ylmethyl)pyrrolidin-3-yl]-5-[3-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole-2-carboxamide
CID 168909173
5-[2-cyclopropyl-5-(trifluoromethoxy)phenyl]-N-[(3R,5S)-5-(triazol-1-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole-2-carboxamide
CID 168909224
N-[(3R,5S)-1-cyano-5-(triazol-1-ylmethyl)pyrrolidin-3-yl]-5-[2-cyclopropyl-5-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole-2-carboxamide
CID 168909282
5-[2-cyclopropyl-5-(trifluoromethoxy)phenyl]-N-pyrrolidin-3-yl-1,3,4-oxadiazole-2-carboxamide;1-methyltriazole
CID 168909372
(2S,4R)-4-[[5-[2-cyclopropyl-5-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole-2-carbonyl]amino]-2-(triazol-1-ylmethyl)pyrrolidine-1-carboxylic acid
CID 169712469
Tert-butyl 4-[[5-[2-cyclopropyl-5-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole-2-carbonyl]amino]-2-(triazol-1-ylmethyl)pyrrolidine-1-carboxylate
CID 175594791
tert-butyl (2R)-4-[[5-[2-cyclopropyl-5-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole-2-carbonyl]amino]-2-(triazol-1-ylmethyl)pyrrolidine-1-carboxylate
CID 175594792
5-[2-cyclopropyl-5-(trifluoromethoxy)phenyl]-N-[(3R,5S)-5-(triazol-1-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 175910372
5-(5-cyano-2-cyclopropylphenyl)-N-[(3R,5S)-5-(pyrazol-1-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 175910388

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopropylphenyl)-N-[(3R,5S)-5-(triazol-1-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-(2-cyclopropylphenyl)-N-[(3R,5S)-5-(triazol-1-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole-2-carboxamide (CID 168909047) is 5-(2-cyclopropylphenyl)-N-[(3R,5S)-5-(triazol-1-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-(2-cyclopropylphenyl)-N-[(3R,5S)-5-(triazol-1-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-(2-cyclopropylphenyl)-N-[(3R,5S)-5-(triazol-1-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole-2-carboxamide is O=C(N[C@H]1CN[C@H](Cn2ccnn2)C1)c1nnc(-c2ccccc2C2CC2)o1.
What is the InChIKey of 5-(2-cyclopropylphenyl)-N-[(3R,5S)-5-(triazol-1-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is XTRCNRKGEOGNFO-KGLIPLIRSA-N. The full InChI is InChI=1S/C19H21N7O2/c27-17(22-13-9-14(20-10-13)11-26-8-7-21-25-26)19-24-23-18(28-19)16-4-2-1-3-15(16)12-5-6-12/h1-4,7-8,12-14,20H,5-6,9-11H2,(H,22,27)/t13-,14+/m1/s1.
What are the key properties of 5-(2-cyclopropylphenyl)-N-[(3R,5S)-5-(triazol-1-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole-2-carboxamide?
5-(2-cyclopropylphenyl)-N-[(3R,5S)-5-(triazol-1-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopropylphenyl)-N-[(3R,5S)-5-(triazol-1-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 168909047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).