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

C17H18F3N3O4 — CID 156881470

IUPACN-[(3R,5R)-5-(methoxymethyl)pyrrolidin-3-yl]-5-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-2-carboxamide
SMILESCOC[C@H]1C[C@@H](NC(=O)c2ncc(-c3cccc(OC(F)(F)F)c3)o2)CN1
InChIInChI=1S/C17H18F3N3O4/c1-25-9-12-6-11(7-21-12)23-15(24)16-22-8-14(26-16)10-3-2-4-13(5-10)27-17(18,19)20/h2-5,8,11-12,21H,6-7,9H2,1H3,(H,23,24)/t11-,12-/m1/s1
InChIKeyNRMVAEYKVAMKEX-VXGBXAGGSA-N
MW385.34 g/mol
LogP2.35
Rot. Bonds6

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

N-[(3R,5R)-5-(methoxymethyl)pyrrolidin-3-yl]-5-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-2-carboxamide (PubChem CID 156881470) has the molecular formula C17H18F3N3O4 and a molecular weight of 385.34 g/mol. Its IUPAC name is N-[(3R,5R)-5-(methoxymethyl)pyrrolidin-3-yl]-5-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound NameN-[(3R,5R)-5-(methoxymethyl)pyrrolidin-3-yl]-5-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-2-carboxamide
PubChem CID156881470
Molecular FormulaC17H18F3N3O4
Molecular Weight385.34 g/mol
Exact Mass385.12
IUPAC NameN-[(3R,5R)-5-(methoxymethyl)pyrrolidin-3-yl]-5-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-2-carboxamide
SMILESCOC[C@H]1C[C@@H](NC(=O)c2ncc(-c3cccc(OC(F)(F)F)c3)o2)CN1
InChIInChI=1S/C17H18F3N3O4/c1-25-9-12-6-11(7-21-12)23-15(24)16-22-8-14(26-16)10-3-2-4-13(5-10)27-17(18,19)20/h2-5,8,11-12,21H,6-7,9H2,1H3,(H,23,24)/t11-,12-/m1/s1
InChIKeyNRMVAEYKVAMKEX-VXGBXAGGSA-N
XLogP2.35
TPSA85.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.34
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5-(3-Methoxyphenyl)oxazol-2-yl)-7-phenylheptan-1-one
CID 16110700
US20230303547, Example 7
CID 167436143
US20230303547, Example 5
CID 167436173
US20230303547, Example 2
CID 167436192
5-(4-fluorophenyl)-N-(2-methoxyphenethyl)oxazole-2-carboxamide
CID 16950317
[5-(3-Methoxyphenyl)-1,3-oxazol-2-yl]-phenylmethanone
CID 164620860
N-[6-(hydroxyamino)-6-oxohexyl]-5-(4-methoxyphenyl)-1,3-oxazole-2-carboxamide
CID 172444780
N-[8-(hydroxyamino)-8-oxooctyl]-5-(4-methoxyphenyl)-1,3-oxazole-2-carboxamide
CID 172454545
N-[7-(hydroxyamino)-7-oxoheptyl]-5-(4-methoxyphenyl)-1,3-oxazole-2-carboxamide
CID 172458023
N-[7-(hydroxyamino)-7-oxoheptyl]-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole-2-carboxamide
CID 172458309
N-[7-(hydroxyamino)-7-oxoheptyl]-5-(2-methoxyphenyl)-1,3-oxazole-2-carboxamide
CID 172467989
N-[8-(hydroxyamino)-8-oxooctyl]-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole-2-carboxamide
CID 172469158

Frequently Asked Questions

What is the IUPAC name of N-[(3R,5R)-5-(methoxymethyl)pyrrolidin-3-yl]-5-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-2-carboxamide?
The IUPAC name of N-[(3R,5R)-5-(methoxymethyl)pyrrolidin-3-yl]-5-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-2-carboxamide (CID 156881470) is N-[(3R,5R)-5-(methoxymethyl)pyrrolidin-3-yl]-5-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-2-carboxamide.
What is the SMILES notation for N-[(3R,5R)-5-(methoxymethyl)pyrrolidin-3-yl]-5-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-2-carboxamide?
The canonical SMILES for N-[(3R,5R)-5-(methoxymethyl)pyrrolidin-3-yl]-5-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-2-carboxamide is COC[C@H]1C[C@@H](NC(=O)c2ncc(-c3cccc(OC(F)(F)F)c3)o2)CN1.
What is the InChIKey of N-[(3R,5R)-5-(methoxymethyl)pyrrolidin-3-yl]-5-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-2-carboxamide?
The InChIKey is NRMVAEYKVAMKEX-VXGBXAGGSA-N. The full InChI is InChI=1S/C17H18F3N3O4/c1-25-9-12-6-11(7-21-12)23-15(24)16-22-8-14(26-16)10-3-2-4-13(5-10)27-17(18,19)20/h2-5,8,11-12,21H,6-7,9H2,1H3,(H,23,24)/t11-,12-/m1/s1.
What are the key properties of N-[(3R,5R)-5-(methoxymethyl)pyrrolidin-3-yl]-5-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-2-carboxamide?
N-[(3R,5R)-5-(methoxymethyl)pyrrolidin-3-yl]-5-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-2-carboxamide has a molecular weight of 385.34 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,5R)-5-(methoxymethyl)pyrrolidin-3-yl]-5-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 156881470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).