N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide

C11H9F3N4O3 — CID 138034916

IUPACN-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESO=C(NCc1noc(C2CC2)n1)c1ncoc1C(F)(F)F
InChIInChI=1S/C11H9F3N4O3/c12-11(13,14)8-7(16-4-20-8)9(19)15-3-6-17-10(21-18-6)5-1-2-5/h4-5H,1-3H2,(H,15,19)
InChIKeyLFEJPIGDCRYJQD-UHFFFAOYSA-N
MW302.21 g/mol
LogP1.88
Rot. Bonds4

About N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide

N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (PubChem CID 138034916) has the molecular formula C11H9F3N4O3 and a molecular weight of 302.21 g/mol. Its IUPAC name is N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
PubChem CID138034916
Molecular FormulaC11H9F3N4O3
Molecular Weight302.21 g/mol
Exact Mass302.06
IUPAC NameN-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESO=C(NCc1noc(C2CC2)n1)c1ncoc1C(F)(F)F
InChIInChI=1S/C11H9F3N4O3/c12-11(13,14)8-7(16-4-20-8)9(19)15-3-6-17-10(21-18-6)5-1-2-5/h4-5H,1-3H2,(H,15,19)
InChIKeyLFEJPIGDCRYJQD-UHFFFAOYSA-N
XLogP1.88
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.21
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Cyclopropyl-N-{2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-YL]ethyl}-1,3-oxazole-4-carboxamide
CID 118769856
N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 128969950
N-[[(2S,4S)-4-fluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide
CID 128990583
N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
CID 154759451
N-[1-(3-isobutyl-1,2,4-oxadiazol-5-yl)ethyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 77084489
5-methyl-N-[(1S)-1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-oxazole-4-carboxamide
CID 99931280
5-methyl-N-[(1R)-1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-oxazole-4-carboxamide
CID 99931281
5-Ethyl-N-[2-(3-isopropyl-1,2,4-oxadiazol-5-YL)ethyl]-1,3-oxazole-4-carboxamide
CID 118771706
5-({[(5-cyclopropyl-1,3-oxazol-4-yl)carbonyl]amino}methyl)-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 118777535
N-methyl-1-[5-(5-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120387832
N-methyl-1-[5-(5-methyl-1,3-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 120387833
5-Isopropyl-N-{[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-YL]methyl}-1,3-oxazole-4-carboxamide
CID 122559762

Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (CID 138034916) is N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is O=C(NCc1noc(C2CC2)n1)c1ncoc1C(F)(F)F.
What is the InChIKey of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is LFEJPIGDCRYJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O3/c12-11(13,14)8-7(16-4-20-8)9(19)15-3-6-17-10(21-18-6)5-1-2-5/h4-5H,1-3H2,(H,15,19).
What are the key properties of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 302.21 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 138034916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).