N-[(S)-(4,4-difluorocyclohexyl)-(1H-imidazol-2-yl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide

C14H17F2N5O2 — CID 175864479

IUPACN-[(S)-(4,4-difluorocyclohexyl)-(1H-imidazol-2-yl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
SMILESCc1nonc1C(=O)N[C@H](c1ncc[nH]1)C1CCC(F)(F)CC1
InChIInChI=1S/C14H17F2N5O2/c1-8-10(21-23-20-8)13(22)19-11(12-17-6-7-18-12)9-2-4-14(15,16)5-3-9/h6-7,9,11H,2-5H2,1H3,(H,17,18)(H,19,22)/t11-/m0/s1
InChIKeyFGFRRTZGNMTZIF-NSHDSACASA-N
MW325.32 g/mol
LogP2.40
Rot. Bonds4

About N-[(S)-(4,4-difluorocyclohexyl)-(1H-imidazol-2-yl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide

N-[(S)-(4,4-difluorocyclohexyl)-(1H-imidazol-2-yl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide (PubChem CID 175864479) has the molecular formula C14H17F2N5O2 and a molecular weight of 325.32 g/mol. Its IUPAC name is N-[(S)-(4,4-difluorocyclohexyl)-(1H-imidazol-2-yl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[(S)-(4,4-difluorocyclohexyl)-(1H-imidazol-2-yl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
PubChem CID175864479
Molecular FormulaC14H17F2N5O2
Molecular Weight325.32 g/mol
Exact Mass325.14
IUPAC NameN-[(S)-(4,4-difluorocyclohexyl)-(1H-imidazol-2-yl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
SMILESCc1nonc1C(=O)N[C@H](c1ncc[nH]1)C1CCC(F)(F)CC1
InChIInChI=1S/C14H17F2N5O2/c1-8-10(21-23-20-8)13(22)19-11(12-17-6-7-18-12)9-2-4-14(15,16)5-3-9/h6-7,9,11H,2-5H2,1H3,(H,17,18)(H,19,22)/t11-/m0/s1
InChIKeyFGFRRTZGNMTZIF-NSHDSACASA-N
XLogP2.40
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(S)-(4,4-difluorocyclohexyl)-(1H-imidazol-2-yl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide with MolForge

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Related Compounds

N-[(S)-[7-[(R)-amino(cyclopropyl)methyl]imidazo[1,2-a]pyrimidin-2-yl]-(4,4-difluorocyclohexyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 166822484
4-[2-[(S)-(4,4-difluorocyclohexyl)-[(4-methyl-1,2,5-oxadiazole-3-carbonyl)amino]methyl]-4-fluoro-1H-benzimidazol-5-yl]oxane-4-carboxylic acid;2,2,2-trifluoroacetic acid
CID 175859568
N-[(S)-[7-[(R)-cyclopropyl-[[(2R)-2-cyclopropyl-2-fluoroacetyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 163526034
N-[(S)-(4,4-difluorocyclohexyl)-[4-fluoro-5-[(2S)-3,4,4-trifluoro-1-oxo-1-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]butan-2-yl]-1H-benzimidazol-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 175384619
ethyl 2-[2-[(S)-(4,4-difluorocyclohexyl)-[(4-methyl-1,2,5-oxadiazole-3-carbonyl)amino]methyl]imidazo[1,2-b]pyridazin-7-yl]-4,4-difluorobutanoate
CID 170550933
N-[(S)-(4,4-difluorocyclohexyl)-[5-[(2S)-1-(2,2-difluoroethylamino)-4,4,4-trifluoro-1-oxobutan-2-yl]-4-fluoro-1H-benzimidazol-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 159431779
N-[(S)-[7-[(R)-cyclopropyl-[[(1R,2R)-2-fluorocyclobutanecarbonyl]amino]methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 166500243
N-[(S)-(4,4-difluorocyclohexyl)-[5-[(2S,4S)-4-(difluoromethyl)-1-(3-fluorobicyclo[1.1.1]pentane-1-carbonyl)piperidin-2-yl]-1H-imidazo[4,5-b]pyridin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 163752713
N-[(S)-[7-[(R)-cyclopropyl-[[2-(3,3-difluorocyclobutyl)acetyl]amino]methyl]imidazo[1,2-a]pyrimidin-2-yl]-(4,4-difluorocyclohexyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 166822384
N-[(S)-(4,4-difluorocyclohexyl)-[5-[4-ethylsulfonyl-1-oxo-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)butan-2-yl]-4-fluoro-1H-benzimidazol-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 167437798
N-[(S)-[5-[2-[[(2S)-1,1-difluoro-1-phosphanylpropan-2-yl]amino]-2-oxoethyl]-4-methyl-1H-benzimidazol-2-yl]-(4-fluoro-4-phosphanylcyclohexyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 170193017
N-[(S)-[7-[(R)-cyclopropyl-[3-(2,2-difluorocyclopropyl)propanoylamino]methyl]imidazo[1,2-b]pyridazin-2-yl]-(4,4-difluorocyclohexyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 157030541

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(4,4-difluorocyclohexyl)-(1H-imidazol-2-yl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of N-[(S)-(4,4-difluorocyclohexyl)-(1H-imidazol-2-yl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide (CID 175864479) is N-[(S)-(4,4-difluorocyclohexyl)-(1H-imidazol-2-yl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for N-[(S)-(4,4-difluorocyclohexyl)-(1H-imidazol-2-yl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for N-[(S)-(4,4-difluorocyclohexyl)-(1H-imidazol-2-yl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide is Cc1nonc1C(=O)N[C@H](c1ncc[nH]1)C1CCC(F)(F)CC1.
What is the InChIKey of N-[(S)-(4,4-difluorocyclohexyl)-(1H-imidazol-2-yl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is FGFRRTZGNMTZIF-NSHDSACASA-N. The full InChI is InChI=1S/C14H17F2N5O2/c1-8-10(21-23-20-8)13(22)19-11(12-17-6-7-18-12)9-2-4-14(15,16)5-3-9/h6-7,9,11H,2-5H2,1H3,(H,17,18)(H,19,22)/t11-/m0/s1.
What are the key properties of N-[(S)-(4,4-difluorocyclohexyl)-(1H-imidazol-2-yl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
N-[(S)-(4,4-difluorocyclohexyl)-(1H-imidazol-2-yl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 325.32 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(4,4-difluorocyclohexyl)-(1H-imidazol-2-yl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 175864479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).