2-[1-(2,3-dihydro-1H-inden-2-yl)-5-(2-methyl-1,3-benzoxazol-6-yl)-1,2,4-triazol-3-yl]acetamide

C21H19N5O2 — CID 72925956

IUPAC2-[1-(2,3-dihydro-1H-inden-2-yl)-5-(2-methyl-1,3-benzoxazol-6-yl)-1,2,4-triazol-3-yl]acetamide
SMILESCc1nc2ccc(-c3nc(CC(N)=O)nn3C3Cc4ccccc4C3)cc2o1
InChIInChI=1S/C21H19N5O2/c1-12-23-17-7-6-15(10-18(17)28-12)21-24-20(11-19(22)27)25-26(21)16-8-13-4-2-3-5-14(13)9-16/h2-7,10,16H,8-9,11H2,1H3,(H2,22,27)
InChIKeyULYYXLMQPXIRMW-UHFFFAOYSA-N
MW373.42 g/mol
LogP2.76
Rot. Bonds4

About 2-[1-(2,3-dihydro-1H-inden-2-yl)-5-(2-methyl-1,3-benzoxazol-6-yl)-1,2,4-triazol-3-yl]acetamide

2-[1-(2,3-dihydro-1H-inden-2-yl)-5-(2-methyl-1,3-benzoxazol-6-yl)-1,2,4-triazol-3-yl]acetamide (PubChem CID 72925956) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is 2-[1-(2,3-dihydro-1H-inden-2-yl)-5-(2-methyl-1,3-benzoxazol-6-yl)-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[1-(2,3-dihydro-1H-inden-2-yl)-5-(2-methyl-1,3-benzoxazol-6-yl)-1,2,4-triazol-3-yl]acetamide
PubChem CID72925956
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC Name2-[1-(2,3-dihydro-1H-inden-2-yl)-5-(2-methyl-1,3-benzoxazol-6-yl)-1,2,4-triazol-3-yl]acetamide
SMILESCc1nc2ccc(-c3nc(CC(N)=O)nn3C3Cc4ccccc4C3)cc2o1
InChIInChI=1S/C21H19N5O2/c1-12-23-17-7-6-15(10-18(17)28-12)21-24-20(11-19(22)27)25-26(21)16-8-13-4-2-3-5-14(13)9-16/h2-7,10,16H,8-9,11H2,1H3,(H2,22,27)
InChIKeyULYYXLMQPXIRMW-UHFFFAOYSA-N
XLogP2.76
TPSA99.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(2,3-dihydro-1H-inden-2-yl)-5-[(1S)-1-hydroxy-3-methylsulfanylpropyl]-1,2,4-triazol-3-yl]acetamide
CID 97455361
2-[1-(2,3-dihydro-1H-inden-2-yl)-5-(1-pyrazol-1-ylpropyl)-1,2,4-triazol-3-yl]acetamide
CID 131910384
2-methyl-1,3-benzoxazole-6-carboxamide
CID 82490560
6-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-methyl-1,3-benzoxazole
CID 116888966
(4-benzylpiperazin-1-yl)-(2-methyl-1,3-benzoxazol-6-yl)methanone
CID 110765233
2-methyl-6-(9-methyl-3-oxa-9-azabicyclo[3.3.1]non-6-en-7-yl)-1,3-benzoxazole
CID 171974718
cyclopropyl-(2-methyl-1,3-benzoxazol-6-yl)methanone
CID 82491485
N-ethyl-N-(2-methyl-1,3-benzoxazol-6-yl)benzamide
CID 175868815
2-amino-3-(2-methyl-1,3-benzoxazol-6-yl)propanamide
CID 116850890
(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-(2-methyl-1,3-benzoxazol-6-yl)methanone
CID 171941761
3,3-dimethyl-1-[4-[2-(2-methyl-1,3-benzoxazol-6-yl)acetyl]piperazin-1-yl]butan-1-one
CID 110804061
9H-fluoren-9-ylmethyl 3-hydroxy-3-(2-methyl-1,3-benzoxazol-6-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171955968

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,3-dihydro-1H-inden-2-yl)-5-(2-methyl-1,3-benzoxazol-6-yl)-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of 2-[1-(2,3-dihydro-1H-inden-2-yl)-5-(2-methyl-1,3-benzoxazol-6-yl)-1,2,4-triazol-3-yl]acetamide (CID 72925956) is 2-[1-(2,3-dihydro-1H-inden-2-yl)-5-(2-methyl-1,3-benzoxazol-6-yl)-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for 2-[1-(2,3-dihydro-1H-inden-2-yl)-5-(2-methyl-1,3-benzoxazol-6-yl)-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for 2-[1-(2,3-dihydro-1H-inden-2-yl)-5-(2-methyl-1,3-benzoxazol-6-yl)-1,2,4-triazol-3-yl]acetamide is Cc1nc2ccc(-c3nc(CC(N)=O)nn3C3Cc4ccccc4C3)cc2o1.
What is the InChIKey of 2-[1-(2,3-dihydro-1H-inden-2-yl)-5-(2-methyl-1,3-benzoxazol-6-yl)-1,2,4-triazol-3-yl]acetamide?
The InChIKey is ULYYXLMQPXIRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-12-23-17-7-6-15(10-18(17)28-12)21-24-20(11-19(22)27)25-26(21)16-8-13-4-2-3-5-14(13)9-16/h2-7,10,16H,8-9,11H2,1H3,(H2,22,27).
What are the key properties of 2-[1-(2,3-dihydro-1H-inden-2-yl)-5-(2-methyl-1,3-benzoxazol-6-yl)-1,2,4-triazol-3-yl]acetamide?
2-[1-(2,3-dihydro-1H-inden-2-yl)-5-(2-methyl-1,3-benzoxazol-6-yl)-1,2,4-triazol-3-yl]acetamide has a molecular weight of 373.42 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,3-dihydro-1H-inden-2-yl)-5-(2-methyl-1,3-benzoxazol-6-yl)-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 72925956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).