5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]-1H-imidazole-2-carboxamide

C16H15F2N7O2 — CID 135405829

IUPAC5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]-1H-imidazole-2-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)c1ncc(-c2nnnn2-c2cccc(F)c2F)[nH]1
InChIInChI=1S/C16H15F2N7O2/c17-10-4-1-5-12(13(10)18)25-15(22-23-24-25)11-8-19-14(21-11)16(26)20-7-9-3-2-6-27-9/h1,4-5,8-9H,2-3,6-7H2,(H,19,21)(H,20,26)/t9-/m0/s1
InChIKeyMRDMVGAZIIPPMZ-VIFPVBQESA-N
MW375.34 g/mol
LogP1.24
Rot. Bonds5

About 5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]-1H-imidazole-2-carboxamide

5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]-1H-imidazole-2-carboxamide (PubChem CID 135405829) has the molecular formula C16H15F2N7O2 and a molecular weight of 375.34 g/mol. Its IUPAC name is 5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]-1H-imidazole-2-carboxamide.

Molecular Properties

Compound Name5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]-1H-imidazole-2-carboxamide
PubChem CID135405829
Molecular FormulaC16H15F2N7O2
Molecular Weight375.34 g/mol
Exact Mass375.13
IUPAC Name5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]-1H-imidazole-2-carboxamide
SMILESO=C(NC[C@@H]1CCCO1)c1ncc(-c2nnnn2-c2cccc(F)c2F)[nH]1
InChIInChI=1S/C16H15F2N7O2/c17-10-4-1-5-12(13(10)18)25-15(22-23-24-25)11-8-19-14(21-11)16(26)20-7-9-3-2-6-27-9/h1,4-5,8-9H,2-3,6-7H2,(H,19,21)(H,20,26)/t9-/m0/s1
InChIKeyMRDMVGAZIIPPMZ-VIFPVBQESA-N
XLogP1.24
TPSA110.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.34
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3-fluoro-2-methylphenyl)-5-methyl-N-(oxolan-2-ylmethyl)triazole-4-carboxamide
CID 53333415
4-[4-(2,3-difluorophenyl)-1,2,4-triazol-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrrole-2-carboxamide
CID 135520131
4-[3-(2,3-difluorophenyl)imidazol-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]-1H-pyrrole-2-carboxamide
CID 11559765
3-(1-methyltetrazol-5-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 75767622
4-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 531952
5-amino-1-(2-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide
CID 7442535
5-(2,6-difluoroanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109185098
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109300922
6-fluoro-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 63972348
5-methyl-1-(2-methylphenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
CID 42818052
5-fluoro-4-methyl-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 146080052
5-amino-1-(2-ethylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxamide
CID 7442589

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]-1H-imidazole-2-carboxamide?
The IUPAC name of 5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]-1H-imidazole-2-carboxamide (CID 135405829) is 5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]-1H-imidazole-2-carboxamide.
What is the SMILES notation for 5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]-1H-imidazole-2-carboxamide?
The canonical SMILES for 5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]-1H-imidazole-2-carboxamide is O=C(NC[C@@H]1CCCO1)c1ncc(-c2nnnn2-c2cccc(F)c2F)[nH]1.
What is the InChIKey of 5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]-1H-imidazole-2-carboxamide?
The InChIKey is MRDMVGAZIIPPMZ-VIFPVBQESA-N. The full InChI is InChI=1S/C16H15F2N7O2/c17-10-4-1-5-12(13(10)18)25-15(22-23-24-25)11-8-19-14(21-11)16(26)20-7-9-3-2-6-27-9/h1,4-5,8-9H,2-3,6-7H2,(H,19,21)(H,20,26)/t9-/m0/s1.
What are the key properties of 5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]-1H-imidazole-2-carboxamide?
5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]-1H-imidazole-2-carboxamide has a molecular weight of 375.34 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2,3-difluorophenyl)tetrazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]-1H-imidazole-2-carboxamide is sourced from PubChem (CID 135405829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).