5-[2-cyclopropyloxy-5-(trifluoromethyl)phenyl]-N-[(3R,5S)-5-(methoxymethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole-2-carboxamide

C19H21F3N4O4 — CID 162363635

IUPAC5-[2-cyclopropyloxy-5-(trifluoromethyl)phenyl]-N-[(3R,5S)-5-(methoxymethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole-2-carboxamide
SMILESCOC[C@@H]1C[C@@H](NC(=O)c2nnc(-c3cc(C(F)(F)F)ccc3OC3CC3)o2)CN1
InChIInChI=1S/C19H21F3N4O4/c1-28-9-12-7-11(8-23-12)24-16(27)18-26-25-17(30-18)14-6-10(19(20,21)22)2-5-15(14)29-13-3-4-13/h2,5-6,11-13,23H,3-4,7-9H2,1H3,(H,24,27)/t11-,12+/m1/s1
InChIKeyUORWTHBOJXKMHM-NEPJUHHUSA-N
MW426.40 g/mol
LogP2.40
Rot. Bonds7

About 5-[2-cyclopropyloxy-5-(trifluoromethyl)phenyl]-N-[(3R,5S)-5-(methoxymethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole-2-carboxamide

5-[2-cyclopropyloxy-5-(trifluoromethyl)phenyl]-N-[(3R,5S)-5-(methoxymethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole-2-carboxamide (PubChem CID 162363635) has the molecular formula C19H21F3N4O4 and a molecular weight of 426.40 g/mol. Its IUPAC name is 5-[2-cyclopropyloxy-5-(trifluoromethyl)phenyl]-N-[(3R,5S)-5-(methoxymethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-[2-cyclopropyloxy-5-(trifluoromethyl)phenyl]-N-[(3R,5S)-5-(methoxymethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole-2-carboxamide
PubChem CID162363635
Molecular FormulaC19H21F3N4O4
Molecular Weight426.40 g/mol
Exact Mass426.15
IUPAC Name5-[2-cyclopropyloxy-5-(trifluoromethyl)phenyl]-N-[(3R,5S)-5-(methoxymethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole-2-carboxamide
SMILESCOC[C@@H]1C[C@@H](NC(=O)c2nnc(-c3cc(C(F)(F)F)ccc3OC3CC3)o2)CN1
InChIInChI=1S/C19H21F3N4O4/c1-28-9-12-7-11(8-23-12)24-16(27)18-26-25-17(30-18)14-6-10(19(20,21)22)2-5-15(14)29-13-3-4-13/h2,5-6,11-13,23H,3-4,7-9H2,1H3,(H,24,27)/t11-,12+/m1/s1
InChIKeyUORWTHBOJXKMHM-NEPJUHHUSA-N
XLogP2.40
TPSA98.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.40
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[2-cyclopropyloxy-5-(trifluoromethyl)phenyl]-N-[(3R,5S)-5-(methoxymethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-[2-cyclopropyloxy-5-(trifluoromethyl)phenyl]-N-[(3R,5S)-5-(methoxymethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole-2-carboxamide (CID 162363635) is 5-[2-cyclopropyloxy-5-(trifluoromethyl)phenyl]-N-[(3R,5S)-5-(methoxymethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-[2-cyclopropyloxy-5-(trifluoromethyl)phenyl]-N-[(3R,5S)-5-(methoxymethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-[2-cyclopropyloxy-5-(trifluoromethyl)phenyl]-N-[(3R,5S)-5-(methoxymethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole-2-carboxamide is COC[C@@H]1C[C@@H](NC(=O)c2nnc(-c3cc(C(F)(F)F)ccc3OC3CC3)o2)CN1.
What is the InChIKey of 5-[2-cyclopropyloxy-5-(trifluoromethyl)phenyl]-N-[(3R,5S)-5-(methoxymethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is UORWTHBOJXKMHM-NEPJUHHUSA-N. The full InChI is InChI=1S/C19H21F3N4O4/c1-28-9-12-7-11(8-23-12)24-16(27)18-26-25-17(30-18)14-6-10(19(20,21)22)2-5-15(14)29-13-3-4-13/h2,5-6,11-13,23H,3-4,7-9H2,1H3,(H,24,27)/t11-,12+/m1/s1.
What are the key properties of 5-[2-cyclopropyloxy-5-(trifluoromethyl)phenyl]-N-[(3R,5S)-5-(methoxymethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole-2-carboxamide?
5-[2-cyclopropyloxy-5-(trifluoromethyl)phenyl]-N-[(3R,5S)-5-(methoxymethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 426.40 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-cyclopropyloxy-5-(trifluoromethyl)phenyl]-N-[(3R,5S)-5-(methoxymethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 162363635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).