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

C17H18F3N3O3 — CID 168839042

IUPACN-[2-[(3R,5S)-5-(methoxymethyl)pyrrolidin-3-yl]-3-(trifluoromethyl)phenyl]-1,3-oxazole-2-carboxamide
SMILESCOC[C@@H]1C[C@H](c2c(NC(=O)c3ncco3)cccc2C(F)(F)F)CN1
InChIInChI=1S/C17H18F3N3O3/c1-25-9-11-7-10(8-22-11)14-12(17(18,19)20)3-2-4-13(14)23-15(24)16-21-5-6-26-16/h2-6,10-11,22H,7-9H2,1H3,(H,23,24)/t10-,11-/m0/s1
InChIKeyPPZBYSKFDYNJIY-QWRGUYRKSA-N
MW369.34 g/mol
LogP3.04
Rot. Bonds5

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

N-[2-[(3R,5S)-5-(methoxymethyl)pyrrolidin-3-yl]-3-(trifluoromethyl)phenyl]-1,3-oxazole-2-carboxamide (PubChem CID 168839042) has the molecular formula C17H18F3N3O3 and a molecular weight of 369.34 g/mol. Its IUPAC name is N-[2-[(3R,5S)-5-(methoxymethyl)pyrrolidin-3-yl]-3-(trifluoromethyl)phenyl]-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(3R,5S)-5-(methoxymethyl)pyrrolidin-3-yl]-3-(trifluoromethyl)phenyl]-1,3-oxazole-2-carboxamide
PubChem CID168839042
Molecular FormulaC17H18F3N3O3
Molecular Weight369.34 g/mol
Exact Mass369.13
IUPAC NameN-[2-[(3R,5S)-5-(methoxymethyl)pyrrolidin-3-yl]-3-(trifluoromethyl)phenyl]-1,3-oxazole-2-carboxamide
SMILESCOC[C@@H]1C[C@H](c2c(NC(=O)c3ncco3)cccc2C(F)(F)F)CN1
InChIInChI=1S/C17H18F3N3O3/c1-25-9-11-7-10(8-22-11)14-12(17(18,19)20)3-2-4-13(14)23-15(24)16-21-5-6-26-16/h2-6,10-11,22H,7-9H2,1H3,(H,23,24)/t10-,11-/m0/s1
InChIKeyPPZBYSKFDYNJIY-QWRGUYRKSA-N
XLogP3.04
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.34
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3R,5S)-5-(methoxymethyl)pyrrolidin-3-yl]-3-(trifluoromethyl)phenyl]-1,3-oxazole-2-carboxamide?
The IUPAC name of N-[2-[(3R,5S)-5-(methoxymethyl)pyrrolidin-3-yl]-3-(trifluoromethyl)phenyl]-1,3-oxazole-2-carboxamide (CID 168839042) is N-[2-[(3R,5S)-5-(methoxymethyl)pyrrolidin-3-yl]-3-(trifluoromethyl)phenyl]-1,3-oxazole-2-carboxamide.
What is the SMILES notation for N-[2-[(3R,5S)-5-(methoxymethyl)pyrrolidin-3-yl]-3-(trifluoromethyl)phenyl]-1,3-oxazole-2-carboxamide?
The canonical SMILES for N-[2-[(3R,5S)-5-(methoxymethyl)pyrrolidin-3-yl]-3-(trifluoromethyl)phenyl]-1,3-oxazole-2-carboxamide is COC[C@@H]1C[C@H](c2c(NC(=O)c3ncco3)cccc2C(F)(F)F)CN1.
What is the InChIKey of N-[2-[(3R,5S)-5-(methoxymethyl)pyrrolidin-3-yl]-3-(trifluoromethyl)phenyl]-1,3-oxazole-2-carboxamide?
The InChIKey is PPZBYSKFDYNJIY-QWRGUYRKSA-N. The full InChI is InChI=1S/C17H18F3N3O3/c1-25-9-11-7-10(8-22-11)14-12(17(18,19)20)3-2-4-13(14)23-15(24)16-21-5-6-26-16/h2-6,10-11,22H,7-9H2,1H3,(H,23,24)/t10-,11-/m0/s1.
What are the key properties of N-[2-[(3R,5S)-5-(methoxymethyl)pyrrolidin-3-yl]-3-(trifluoromethyl)phenyl]-1,3-oxazole-2-carboxamide?
N-[2-[(3R,5S)-5-(methoxymethyl)pyrrolidin-3-yl]-3-(trifluoromethyl)phenyl]-1,3-oxazole-2-carboxamide has a molecular weight of 369.34 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3R,5S)-5-(methoxymethyl)pyrrolidin-3-yl]-3-(trifluoromethyl)phenyl]-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 168839042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).