formic acid;N-[(1S,2S,4S)-2-hydroxy-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclohexyl]-1-methylimidazole-4-carboxamide

C17H24N6O6 — CID 155972637

IUPACformic acid;N-[(1S,2S,4S)-2-hydroxy-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclohexyl]-1-methylimidazole-4-carboxamide
SMILESCc1nc(CNC(=O)[C@H]2CC[C@H](NC(=O)c3cn(C)cn3)[C@@H](O)C2)no1.O=CO
InChIInChI=1S/C16H22N6O4.CH2O2/c1-9-19-14(21-26-9)6-17-15(24)10-3-4-11(13(23)5-10)20-16(25)12-7-22(2)8-18-12;2-1-3/h7-8,10-11,13,23H,3-6H2,1-2H3,(H,17,24)(H,20,25);1H,(H,2,3)/t10-,11-,13-;/m0./s1
InChIKeySQEMRHHYQSCDNQ-SQRKDXEHSA-N
MW408.42 g/mol
LogP-0.61
Rot. Bonds5

About formic acid;N-[(1S,2S,4S)-2-hydroxy-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclohexyl]-1-methylimidazole-4-carboxamide

formic acid;N-[(1S,2S,4S)-2-hydroxy-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclohexyl]-1-methylimidazole-4-carboxamide (PubChem CID 155972637) has the molecular formula C17H24N6O6 and a molecular weight of 408.42 g/mol. Its IUPAC name is formic acid;N-[(1S,2S,4S)-2-hydroxy-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclohexyl]-1-methylimidazole-4-carboxamide.

Molecular Properties

Compound Nameformic acid;N-[(1S,2S,4S)-2-hydroxy-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclohexyl]-1-methylimidazole-4-carboxamide
PubChem CID155972637
Molecular FormulaC17H24N6O6
Molecular Weight408.42 g/mol
Exact Mass408.18
IUPAC Nameformic acid;N-[(1S,2S,4S)-2-hydroxy-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclohexyl]-1-methylimidazole-4-carboxamide
SMILESCc1nc(CNC(=O)[C@H]2CC[C@H](NC(=O)c3cn(C)cn3)[C@@H](O)C2)no1.O=CO
InChIInChI=1S/C16H22N6O4.CH2O2/c1-9-19-14(21-26-9)6-17-15(24)10-3-4-11(13(23)5-10)20-16(25)12-7-22(2)8-18-12;2-1-3/h7-8,10-11,13,23H,3-6H2,1-2H3,(H,17,24)(H,20,25);1H,(H,2,3)/t10-,11-,13-;/m0./s1
InChIKeySQEMRHHYQSCDNQ-SQRKDXEHSA-N
XLogP-0.61
TPSA172.47 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.42
LogP ≤ 5-0.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

formic acid;N-[(1R,2R,4S)-2-hydroxy-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclohexyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 163338109
N-[(1R,2R,4S)-2-hydroxy-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclohexyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 156584695
3-fluoro-N-[(1S,2S,4S)-2-hydroxy-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclohexyl]benzamide
CID 155917710
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxamide
CID 103811687
(1S,3R,4R)-4-(dimethylsulfamoylamino)-3-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclohexane-1-carboxamide
CID 162630309
N-[(1R,2R,3R)-2-hydroxy-3-pyrrolidin-1-ylcycloheptyl]-1-methylimidazole-4-carboxamide
CID 110128241
formic acid;(1S,3S,4S)-3-hydroxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-[[2-(2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxamide
CID 155972962
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclopropanecarboxamide
CID 103883571
1-methyl-N-[(1R,2R,4S)-4-(morpholine-4-carbonyl)-2-propoxycyclohexyl]imidazole-4-carboxamide
CID 155917918
1-methyl-N-[(1R,2R,5S)-5-(piperidine-1-carbonyl)-2-propoxycyclohexyl]imidazole-4-carboxamide
CID 155914685
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 114183213
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]morpholine-2-carboxamide
CID 103811683

Frequently Asked Questions

What is the IUPAC name of formic acid;N-[(1S,2S,4S)-2-hydroxy-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclohexyl]-1-methylimidazole-4-carboxamide?
The IUPAC name of formic acid;N-[(1S,2S,4S)-2-hydroxy-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclohexyl]-1-methylimidazole-4-carboxamide (CID 155972637) is formic acid;N-[(1S,2S,4S)-2-hydroxy-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclohexyl]-1-methylimidazole-4-carboxamide.
What is the SMILES notation for formic acid;N-[(1S,2S,4S)-2-hydroxy-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclohexyl]-1-methylimidazole-4-carboxamide?
The canonical SMILES for formic acid;N-[(1S,2S,4S)-2-hydroxy-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclohexyl]-1-methylimidazole-4-carboxamide is Cc1nc(CNC(=O)[C@H]2CC[C@H](NC(=O)c3cn(C)cn3)[C@@H](O)C2)no1.O=CO.
What is the InChIKey of formic acid;N-[(1S,2S,4S)-2-hydroxy-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclohexyl]-1-methylimidazole-4-carboxamide?
The InChIKey is SQEMRHHYQSCDNQ-SQRKDXEHSA-N. The full InChI is InChI=1S/C16H22N6O4.CH2O2/c1-9-19-14(21-26-9)6-17-15(24)10-3-4-11(13(23)5-10)20-16(25)12-7-22(2)8-18-12;2-1-3/h7-8,10-11,13,23H,3-6H2,1-2H3,(H,17,24)(H,20,25);1H,(H,2,3)/t10-,11-,13-;/m0./s1.
What are the key properties of formic acid;N-[(1S,2S,4S)-2-hydroxy-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclohexyl]-1-methylimidazole-4-carboxamide?
formic acid;N-[(1S,2S,4S)-2-hydroxy-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclohexyl]-1-methylimidazole-4-carboxamide has a molecular weight of 408.42 g/mol, XLogP of -0.61, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;N-[(1S,2S,4S)-2-hydroxy-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclohexyl]-1-methylimidazole-4-carboxamide is sourced from PubChem (CID 155972637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).