2-(2,3-dihydro-1H-inden-5-yl)-N-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethyl]acetamide

C21H21N3O2 — CID 95146097

IUPAC2-(2,3-dihydro-1H-inden-5-yl)-N-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethyl]acetamide
SMILESCc1noc([C@@H](NC(=O)Cc2ccc3c(c2)CCC3)c2ccccc2)n1
InChIInChI=1S/C21H21N3O2/c1-14-22-21(26-24-14)20(17-6-3-2-4-7-17)23-19(25)13-15-10-11-16-8-5-9-18(16)12-15/h2-4,6-7,10-12,20H,5,8-9,13H2,1H3,(H,23,25)/t20-/m0/s1
InChIKeyONQSMEVUASCVGK-FQEVSTJZSA-N
MW347.42 g/mol
LogP3.32
Rot. Bonds5

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

2-(2,3-dihydro-1H-inden-5-yl)-N-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethyl]acetamide (PubChem CID 95146097) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yl)-N-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethyl]acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yl)-N-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethyl]acetamide
PubChem CID95146097
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name2-(2,3-dihydro-1H-inden-5-yl)-N-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethyl]acetamide
SMILESCc1noc([C@@H](NC(=O)Cc2ccc3c(c2)CCC3)c2ccccc2)n1
InChIInChI=1S/C21H21N3O2/c1-14-22-21(26-24-14)20(17-6-3-2-4-7-17)23-19(25)13-15-10-11-16-8-5-9-18(16)12-15/h2-4,6-7,10-12,20H,5,8-9,13H2,1H3,(H,23,25)/t20-/m0/s1
InChIKeyONQSMEVUASCVGK-FQEVSTJZSA-N
XLogP3.32
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-2-phenylacetic acid
CID 119372755
1-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethyl]-3-(2-phenylethyl)urea
CID 94816108
2-(2,3-dihydro-1H-inden-5-yl)-N-propan-2-ylacetamide
CID 60645732
4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-4-phenylbutanoic acid
CID 119201393
N-propan-2-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 60645733
2-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]propanoic acid
CID 43239418
N-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-phenylmethyl]propanamide
CID 120863026
N-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-phenylmethyl]propanamide;hydrochloride
CID 120855395
N-[(2-methylphenyl)-phenylmethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide
CID 133164015
2-(2,3-dihydro-1H-inden-5-yloxy)-N-[phenyl(pyridin-2-yl)methyl]acetamide
CID 51152064
N-(3,4-dichlorophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 18270009
2-(benzhydrylamino)-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 7516034

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-N-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethyl]acetamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-N-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethyl]acetamide (CID 95146097) is 2-(2,3-dihydro-1H-inden-5-yl)-N-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethyl]acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yl)-N-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethyl]acetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yl)-N-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethyl]acetamide is Cc1noc([C@@H](NC(=O)Cc2ccc3c(c2)CCC3)c2ccccc2)n1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yl)-N-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethyl]acetamide?
The InChIKey is ONQSMEVUASCVGK-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-14-22-21(26-24-14)20(17-6-3-2-4-7-17)23-19(25)13-15-10-11-16-8-5-9-18(16)12-15/h2-4,6-7,10-12,20H,5,8-9,13H2,1H3,(H,23,25)/t20-/m0/s1.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yl)-N-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethyl]acetamide?
2-(2,3-dihydro-1H-inden-5-yl)-N-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethyl]acetamide has a molecular weight of 347.42 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yl)-N-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethyl]acetamide is sourced from PubChem (CID 95146097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).