N-[5-(cyclopropen-1-yl)-1,2-oxazol-3-yl]-2-[4-(trifluoromethyl)phenyl]pyrazolidine-1-carboxamide

C17H15F3N4O2 — CID 164536782

IUPACN-[5-(cyclopropen-1-yl)-1,2-oxazol-3-yl]-2-[4-(trifluoromethyl)phenyl]pyrazolidine-1-carboxamide
SMILESO=C(Nc1cc(C2=CC2)on1)N1CCCN1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H15F3N4O2/c18-17(19,20)12-4-6-13(7-5-12)23-8-1-9-24(23)16(25)21-15-10-14(26-22-15)11-2-3-11/h2,4-7,10H,1,3,8-9H2,(H,21,22,25)
InChIKeyRCWJMQVTYWXZSK-UHFFFAOYSA-N
MW364.33 g/mol
LogP4.14
Rot. Bonds3

About N-[5-(cyclopropen-1-yl)-1,2-oxazol-3-yl]-2-[4-(trifluoromethyl)phenyl]pyrazolidine-1-carboxamide

N-[5-(cyclopropen-1-yl)-1,2-oxazol-3-yl]-2-[4-(trifluoromethyl)phenyl]pyrazolidine-1-carboxamide (PubChem CID 164536782) has the molecular formula C17H15F3N4O2 and a molecular weight of 364.33 g/mol. Its IUPAC name is N-[5-(cyclopropen-1-yl)-1,2-oxazol-3-yl]-2-[4-(trifluoromethyl)phenyl]pyrazolidine-1-carboxamide.

Molecular Properties

Compound NameN-[5-(cyclopropen-1-yl)-1,2-oxazol-3-yl]-2-[4-(trifluoromethyl)phenyl]pyrazolidine-1-carboxamide
PubChem CID164536782
Molecular FormulaC17H15F3N4O2
Molecular Weight364.33 g/mol
Exact Mass364.11
IUPAC NameN-[5-(cyclopropen-1-yl)-1,2-oxazol-3-yl]-2-[4-(trifluoromethyl)phenyl]pyrazolidine-1-carboxamide
SMILESO=C(Nc1cc(C2=CC2)on1)N1CCCN1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H15F3N4O2/c18-17(19,20)12-4-6-13(7-5-12)23-8-1-9-24(23)16(25)21-15-10-14(26-22-15)11-2-3-11/h2,4-7,10H,1,3,8-9H2,(H,21,22,25)
InChIKeyRCWJMQVTYWXZSK-UHFFFAOYSA-N
XLogP4.14
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.33
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclopropen-1-yl)-1,2-oxazol-3-yl]-2-[4-(trifluoromethyl)phenyl]pyrazolidine-1-carboxamide?
The IUPAC name of N-[5-(cyclopropen-1-yl)-1,2-oxazol-3-yl]-2-[4-(trifluoromethyl)phenyl]pyrazolidine-1-carboxamide (CID 164536782) is N-[5-(cyclopropen-1-yl)-1,2-oxazol-3-yl]-2-[4-(trifluoromethyl)phenyl]pyrazolidine-1-carboxamide.
What is the SMILES notation for N-[5-(cyclopropen-1-yl)-1,2-oxazol-3-yl]-2-[4-(trifluoromethyl)phenyl]pyrazolidine-1-carboxamide?
The canonical SMILES for N-[5-(cyclopropen-1-yl)-1,2-oxazol-3-yl]-2-[4-(trifluoromethyl)phenyl]pyrazolidine-1-carboxamide is O=C(Nc1cc(C2=CC2)on1)N1CCCN1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[5-(cyclopropen-1-yl)-1,2-oxazol-3-yl]-2-[4-(trifluoromethyl)phenyl]pyrazolidine-1-carboxamide?
The InChIKey is RCWJMQVTYWXZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O2/c18-17(19,20)12-4-6-13(7-5-12)23-8-1-9-24(23)16(25)21-15-10-14(26-22-15)11-2-3-11/h2,4-7,10H,1,3,8-9H2,(H,21,22,25).
What are the key properties of N-[5-(cyclopropen-1-yl)-1,2-oxazol-3-yl]-2-[4-(trifluoromethyl)phenyl]pyrazolidine-1-carboxamide?
N-[5-(cyclopropen-1-yl)-1,2-oxazol-3-yl]-2-[4-(trifluoromethyl)phenyl]pyrazolidine-1-carboxamide has a molecular weight of 364.33 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclopropen-1-yl)-1,2-oxazol-3-yl]-2-[4-(trifluoromethyl)phenyl]pyrazolidine-1-carboxamide is sourced from PubChem (CID 164536782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).