1-propan-2-yl-3-prop-2-ynyl-1-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]urea

C15H15F3N4O2S — CID 142423165

IUPAC1-propan-2-yl-3-prop-2-ynyl-1-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]urea
SMILESC#CCNC(=O)N(Cc1ccc(-c2noc(C(F)(F)F)n2)s1)C(C)C
InChIInChI=1S/C15H15F3N4O2S/c1-4-7-19-14(23)22(9(2)3)8-10-5-6-11(25-10)12-20-13(24-21-12)15(16,17)18/h1,5-6,9H,7-8H2,2-3H3,(H,19,23)
InChIKeySVTKLRMJRFQSLW-UHFFFAOYSA-N
MW372.37 g/mol
LogP3.37
Rot. Bonds5

About 1-propan-2-yl-3-prop-2-ynyl-1-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]urea

1-propan-2-yl-3-prop-2-ynyl-1-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]urea (PubChem CID 142423165) has the molecular formula C15H15F3N4O2S and a molecular weight of 372.37 g/mol. Its IUPAC name is 1-propan-2-yl-3-prop-2-ynyl-1-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]urea.

Molecular Properties

Compound Name1-propan-2-yl-3-prop-2-ynyl-1-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]urea
PubChem CID142423165
Molecular FormulaC15H15F3N4O2S
Molecular Weight372.37 g/mol
Exact Mass372.09
IUPAC Name1-propan-2-yl-3-prop-2-ynyl-1-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]urea
SMILESC#CCNC(=O)N(Cc1ccc(-c2noc(C(F)(F)F)n2)s1)C(C)C
InChIInChI=1S/C15H15F3N4O2S/c1-4-7-19-14(23)22(9(2)3)8-10-5-6-11(25-10)12-20-13(24-21-12)15(16,17)18/h1,5-6,9H,7-8H2,2-3H3,(H,19,23)
InChIKeySVTKLRMJRFQSLW-UHFFFAOYSA-N
XLogP3.37
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.37
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-propan-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide
CID 142423345
N'-propan-2-yl-N'-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]oxamide
CID 142423267
2-methyl-N-propan-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]butanamide
CID 142423333
N-methyl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]acetamide
CID 142423214
N,2-dimethoxy-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]propanamide
CID 142423273
N'-methyl-N'-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]oxamide
CID 146662686
N-methoxy-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]methanesulfonamide
CID 142423341
2-methyl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropane-1-carboxamide
CID 142423263
3-[5-(bromomethyl)thiophen-2-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 135318835
2-methoxy-N-methyl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]ethanesulfonamide
CID 142423156
N-propan-2-yl-1-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]imidazole-4-carboxamide
CID 155074883
4-methyl-1-[1-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrazol-4-yl]pentan-1-one
CID 158929141

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-prop-2-ynyl-1-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]urea?
The IUPAC name of 1-propan-2-yl-3-prop-2-ynyl-1-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]urea (CID 142423165) is 1-propan-2-yl-3-prop-2-ynyl-1-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]urea.
What is the SMILES notation for 1-propan-2-yl-3-prop-2-ynyl-1-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]urea?
The canonical SMILES for 1-propan-2-yl-3-prop-2-ynyl-1-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]urea is C#CCNC(=O)N(Cc1ccc(-c2noc(C(F)(F)F)n2)s1)C(C)C.
What is the InChIKey of 1-propan-2-yl-3-prop-2-ynyl-1-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]urea?
The InChIKey is SVTKLRMJRFQSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O2S/c1-4-7-19-14(23)22(9(2)3)8-10-5-6-11(25-10)12-20-13(24-21-12)15(16,17)18/h1,5-6,9H,7-8H2,2-3H3,(H,19,23).
What are the key properties of 1-propan-2-yl-3-prop-2-ynyl-1-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]urea?
1-propan-2-yl-3-prop-2-ynyl-1-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]urea has a molecular weight of 372.37 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-prop-2-ynyl-1-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]urea is sourced from PubChem (CID 142423165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).