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

C22H28N4O6 — CID 163338109

IUPACformic 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
SMILESCc1nc(CNC(=O)[C@H]2CC[C@@H](NC(=O)C3Cc4ccccc4C3)[C@H](O)C2)no1.O=CO
InChIInChI=1S/C21H26N4O4.CH2O2/c1-12-23-19(25-29-12)11-22-20(27)15-6-7-17(18(26)10-15)24-21(28)16-8-13-4-2-3-5-14(13)9-16;2-1-3/h2-5,15-18,26H,6-11H2,1H3,(H,22,27)(H,24,28);1H,(H,2,3)/t15-,17+,18+;/m0./s1
InChIKeyPIDMVYRHBJAQIC-FLCXFYETSA-N
MW444.49 g/mol
LogP0.76
Rot. Bonds5

About 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

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 (PubChem CID 163338109) has the molecular formula C22H28N4O6 and a molecular weight of 444.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nameformic 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
PubChem CID163338109
Molecular FormulaC22H28N4O6
Molecular Weight444.49 g/mol
Exact Mass444.20
IUPAC Nameformic 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
SMILESCc1nc(CNC(=O)[C@H]2CC[C@@H](NC(=O)C3Cc4ccccc4C3)[C@H](O)C2)no1.O=CO
InChIInChI=1S/C21H26N4O4.CH2O2/c1-12-23-19(25-29-12)11-22-20(27)15-6-7-17(18(26)10-15)24-21(28)16-8-13-4-2-3-5-14(13)9-16;2-1-3/h2-5,15-18,26H,6-11H2,1H3,(H,22,27)(H,24,28);1H,(H,2,3)/t15-,17+,18+;/m0./s1
InChIKeyPIDMVYRHBJAQIC-FLCXFYETSA-N
XLogP0.76
TPSA154.65 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 50.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
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
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
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
(1S,3R,4R)-4-(dimethylsulfamoylamino)-3-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclohexane-1-carboxamide
CID 162630309
6-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 46968995
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 114183213
N-[[4-[(2,3-dihydro-1H-indene-2-carbonylamino)methyl]phenyl]methyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 155137344
N-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanecarboxamide
CID 50755860
formic acid;N-[(1R,2R,4S)-2-hydroxy-4-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methylcarbamoyl]cyclohexyl]oxane-4-carboxamide
CID 163338147
2-(2-hydroxyphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
CID 113238378

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nc(CNC(=O)[C@H]2CC[C@@H](NC(=O)C3Cc4ccccc4C3)[C@H](O)C2)no1.O=CO.
What is the InChIKey of 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?
The InChIKey is PIDMVYRHBJAQIC-FLCXFYETSA-N. The full InChI is InChI=1S/C21H26N4O4.CH2O2/c1-12-23-19(25-29-12)11-22-20(27)15-6-7-17(18(26)10-15)24-21(28)16-8-13-4-2-3-5-14(13)9-16;2-1-3/h2-5,15-18,26H,6-11H2,1H3,(H,22,27)(H,24,28);1H,(H,2,3)/t15-,17+,18+;/m0./s1.
What are the key properties of 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?
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 has a molecular weight of 444.49 g/mol, XLogP of 0.76, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163338109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).