N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

C14H15N3O3S — CID 131947918

IUPACN-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCc1nnc(SCC(=O)N[C@@H]2c3ccccc3C[C@H]2O)o1
InChIInChI=1S/C14H15N3O3S/c1-8-16-17-14(20-8)21-7-12(19)15-13-10-5-3-2-4-9(10)6-11(13)18/h2-5,11,13,18H,6-7H2,1H3,(H,15,19)/t11-,13-/m1/s1
InChIKeyVWCDQHVAVRECGW-DGCLKSJQSA-N
MW305.36 g/mol
LogP1.24
Rot. Bonds4

About N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 131947918) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
PubChem CID131947918
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC NameN-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCc1nnc(SCC(=O)N[C@@H]2c3ccccc3C[C@H]2O)o1
InChIInChI=1S/C14H15N3O3S/c1-8-16-17-14(20-8)21-7-12(19)15-13-10-5-3-2-4-9(10)6-11(13)18/h2-5,11,13,18H,6-7H2,1H3,(H,15,19)/t11-,13-/m1/s1
InChIKeyVWCDQHVAVRECGW-DGCLKSJQSA-N
XLogP1.24
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
CID 15432723
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 97249203
2-butylsulfanyl-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide
CID 61368363
2-chloro-N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide
CID 70272915
2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide
CID 110693895
N-[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methoxyacetamide
CID 139796474
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-(pyridin-4-ylmethylsulfanyl)acetamide
CID 111696498
N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 126446149
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(3-methylphenyl)acetamide
CID 103816958
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(2-hydroxyphenyl)acetamide
CID 103819076
4-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-4-oxobutanoic acid
CID 23881282
ethyl 4-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-4-oxobutanoate
CID 61367406

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 131947918) is N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is Cc1nnc(SCC(=O)N[C@@H]2c3ccccc3C[C@H]2O)o1.
What is the InChIKey of N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is VWCDQHVAVRECGW-DGCLKSJQSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-8-16-17-14(20-8)21-7-12(19)15-13-10-5-3-2-4-9(10)6-11(13)18/h2-5,11,13,18H,6-7H2,1H3,(H,15,19)/t11-,13-/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 305.36 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 131947918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).