5-ethyl-N-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1H-imidazole-4-carboxamide

C17H18FN5O2 — CID 154844188

IUPAC5-ethyl-N-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1H-imidazole-4-carboxamide
SMILESCCc1[nH]cnc1C(=O)NC(C)c1nc(-c2ccc(F)c(C)c2)no1
InChIInChI=1S/C17H18FN5O2/c1-4-13-14(20-8-19-13)16(24)21-10(3)17-22-15(23-25-17)11-5-6-12(18)9(2)7-11/h5-8,10H,4H2,1-3H3,(H,19,20)(H,21,24)
InChIKeyVXCDYQRMFCSPNH-UHFFFAOYSA-N
MW343.36 g/mol
LogP2.96
Rot. Bonds5

About 5-ethyl-N-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1H-imidazole-4-carboxamide

5-ethyl-N-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1H-imidazole-4-carboxamide (PubChem CID 154844188) has the molecular formula C17H18FN5O2 and a molecular weight of 343.36 g/mol. Its IUPAC name is 5-ethyl-N-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1H-imidazole-4-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1H-imidazole-4-carboxamide
PubChem CID154844188
Molecular FormulaC17H18FN5O2
Molecular Weight343.36 g/mol
Exact Mass343.14
IUPAC Name5-ethyl-N-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1H-imidazole-4-carboxamide
SMILESCCc1[nH]cnc1C(=O)NC(C)c1nc(-c2ccc(F)c(C)c2)no1
InChIInChI=1S/C17H18FN5O2/c1-4-13-14(20-8-19-13)16(24)21-10(3)17-22-15(23-25-17)11-5-6-12(18)9(2)7-11/h5-8,10H,4H2,1-3H3,(H,19,20)(H,21,24)
InChIKeyVXCDYQRMFCSPNH-UHFFFAOYSA-N
XLogP2.96
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-ethyl-N-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1H-imidazole-4-carboxamide with MolForge

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Related Compounds

(1S)-1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 66263585
4-fluoro-N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 17101349
3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-one
CID 63344244
N-[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2,5-difluorobenzamide
CID 95782686
4-amino-2-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]butanoic acid
CID 82626703
5-(diethoxymethyl)-3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazole
CID 63773042
N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4-dimethoxybenzamide
CID 52513082
N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4-dimethoxybenzamide
CID 49179572
2-ethyl-N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]butanamide
CID 95149201
[3-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethylamino]phenyl]methanol
CID 110900364
(1S)-1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 82616661
(1S)-1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 93350969

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1H-imidazole-4-carboxamide?
The IUPAC name of 5-ethyl-N-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1H-imidazole-4-carboxamide (CID 154844188) is 5-ethyl-N-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1H-imidazole-4-carboxamide.
What is the SMILES notation for 5-ethyl-N-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1H-imidazole-4-carboxamide?
The canonical SMILES for 5-ethyl-N-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1H-imidazole-4-carboxamide is CCc1[nH]cnc1C(=O)NC(C)c1nc(-c2ccc(F)c(C)c2)no1.
What is the InChIKey of 5-ethyl-N-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1H-imidazole-4-carboxamide?
The InChIKey is VXCDYQRMFCSPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O2/c1-4-13-14(20-8-19-13)16(24)21-10(3)17-22-15(23-25-17)11-5-6-12(18)9(2)7-11/h5-8,10H,4H2,1-3H3,(H,19,20)(H,21,24).
What are the key properties of 5-ethyl-N-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1H-imidazole-4-carboxamide?
5-ethyl-N-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1H-imidazole-4-carboxamide has a molecular weight of 343.36 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1H-imidazole-4-carboxamide is sourced from PubChem (CID 154844188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).