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

C15H14F3N3O3 — CID 156881472

IUPACN-pyrrolidin-3-yl-5-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-2-carboxamide
SMILESO=C(NC1CCNC1)c1ncc(-c2cccc(OC(F)(F)F)c2)o1
InChIInChI=1S/C15H14F3N3O3/c16-15(17,18)24-11-3-1-2-9(6-11)12-8-20-14(23-12)13(22)21-10-4-5-19-7-10/h1-3,6,8,10,19H,4-5,7H2,(H,21,22)
InChIKeyCSFSEGIRNXZPBI-UHFFFAOYSA-N
MW341.29 g/mol
LogP2.33
Rot. Bonds4

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

N-pyrrolidin-3-yl-5-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-2-carboxamide (PubChem CID 156881472) has the molecular formula C15H14F3N3O3 and a molecular weight of 341.29 g/mol. Its IUPAC name is N-pyrrolidin-3-yl-5-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound NameN-pyrrolidin-3-yl-5-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-2-carboxamide
PubChem CID156881472
Molecular FormulaC15H14F3N3O3
Molecular Weight341.29 g/mol
Exact Mass341.10
IUPAC NameN-pyrrolidin-3-yl-5-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-2-carboxamide
SMILESO=C(NC1CCNC1)c1ncc(-c2cccc(OC(F)(F)F)c2)o1
InChIInChI=1S/C15H14F3N3O3/c16-15(17,18)24-11-3-1-2-9(6-11)12-8-20-14(23-12)13(22)21-10-4-5-19-7-10/h1-3,6,8,10,19H,4-5,7H2,(H,21,22)
InChIKeyCSFSEGIRNXZPBI-UHFFFAOYSA-N
XLogP2.33
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-(3-Methoxyphenyl)oxazol-2-yl)-7-phenylheptan-1-one
CID 16110700
US11306078, Example 3.017
CID 138676439
US20230303547, Example 7
CID 167436143
N-((1-Cyanopyrrolidin-3-yl)methyl)-5-phenyloxazole-2-carboxamide
CID 129247135
5-(4-fluorophenyl)-N-(2-methoxyphenethyl)oxazole-2-carboxamide
CID 16950317
5-(4-fluorophenyl)-N-(2-(trifluoromethoxy)phenyl)oxazole-2-carboxamide
CID 76145337
[5-(3-Methoxyphenyl)-1,3-oxazol-2-yl]-phenylmethanone
CID 164620860
N-[7-(hydroxyamino)-7-oxoheptyl]-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole-2-carboxamide
CID 172458309
N-[8-(hydroxyamino)-8-oxooctyl]-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole-2-carboxamide
CID 172469158
N-[7-(hydroxyamino)-7-oxoheptyl]-5-(3-methoxyphenyl)-1,3-oxazole-2-carboxamide
CID 172469508
N-[8-(hydroxyamino)-8-oxooctyl]-5-(3-methoxyphenyl)-1,3-oxazole-2-carboxamide
CID 172471706
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 17454120

Frequently Asked Questions

What is the IUPAC name of N-pyrrolidin-3-yl-5-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-2-carboxamide?
The IUPAC name of N-pyrrolidin-3-yl-5-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-2-carboxamide (CID 156881472) is N-pyrrolidin-3-yl-5-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-2-carboxamide.
What is the SMILES notation for N-pyrrolidin-3-yl-5-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-2-carboxamide?
The canonical SMILES for N-pyrrolidin-3-yl-5-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-2-carboxamide is O=C(NC1CCNC1)c1ncc(-c2cccc(OC(F)(F)F)c2)o1.
What is the InChIKey of N-pyrrolidin-3-yl-5-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-2-carboxamide?
The InChIKey is CSFSEGIRNXZPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O3/c16-15(17,18)24-11-3-1-2-9(6-11)12-8-20-14(23-12)13(22)21-10-4-5-19-7-10/h1-3,6,8,10,19H,4-5,7H2,(H,21,22).
What are the key properties of N-pyrrolidin-3-yl-5-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-2-carboxamide?
N-pyrrolidin-3-yl-5-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-2-carboxamide has a molecular weight of 341.29 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrrolidin-3-yl-5-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 156881472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).