N-[(1R,2R,4S)-2-hydroxy-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclohexyl]-2,3-dihydro-1H-indene-2-carboxamide

C21H26N4O4 — CID 156584695

IUPACN-[(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
InChIInChI=1S/C21H26N4O4/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/h2-5,15-18,26H,6-11H2,1H3,(H,22,27)(H,24,28)/t15-,17+,18+/m0/s1
InChIKeyVAPBHAWCAGILGJ-CGTJXYLNSA-N
MW398.46 g/mol
LogP1.06
Rot. Bonds5

About N-[(1R,2R,4S)-2-hydroxy-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclohexyl]-2,3-dihydro-1H-indene-2-carboxamide

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 156584695) has the molecular formula C21H26N4O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is 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 NameN-[(1R,2R,4S)-2-hydroxy-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclohexyl]-2,3-dihydro-1H-indene-2-carboxamide
PubChem CID156584695
Molecular FormulaC21H26N4O4
Molecular Weight398.46 g/mol
Exact Mass398.20
IUPAC NameN-[(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
InChIInChI=1S/C21H26N4O4/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/h2-5,15-18,26H,6-11H2,1H3,(H,22,27)(H,24,28)/t15-,17+,18+/m0/s1
InChIKeyVAPBHAWCAGILGJ-CGTJXYLNSA-N
XLogP1.06
TPSA117.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 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

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
3-fluoro-N-[(1S,2S,4S)-2-hydroxy-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclohexyl]benzamide
CID 155917710
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
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
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
2-(2-hydroxyphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
CID 113238378
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
1-[2-(4-chlorophenyl)oxolan-3-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 84595697

Frequently Asked Questions

What is the IUPAC name of 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 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) is 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 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 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.
What is the InChIKey of 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 VAPBHAWCAGILGJ-CGTJXYLNSA-N. The full InChI is InChI=1S/C21H26N4O4/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/h2-5,15-18,26H,6-11H2,1H3,(H,22,27)(H,24,28)/t15-,17+,18+/m0/s1.
What are the key properties of N-[(1R,2R,4S)-2-hydroxy-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclohexyl]-2,3-dihydro-1H-indene-2-carboxamide?
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 398.46 g/mol, XLogP of 1.06, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 156584695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).