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

C27H24N2O2 — CID 141295964

IUPACN-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]acetamide
SMILESCc1noc(-c2ccc(-c3ccccc3)cc2)c1CC(=O)N[C@H]1CCc2ccccc21
InChIInChI=1S/C27H24N2O2/c1-18-24(17-26(30)28-25-16-15-21-9-5-6-10-23(21)25)27(31-29-18)22-13-11-20(12-14-22)19-7-3-2-4-8-19/h2-14,25H,15-17H2,1H3,(H,28,30)/t25-/m0/s1
InChIKeyNUOUUYLVQIYQKK-VWLOTQADSA-N
MW408.50 g/mol
LogP5.66
Rot. Bonds5

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

N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]acetamide (PubChem CID 141295964) has the molecular formula C27H24N2O2 and a molecular weight of 408.50 g/mol. Its IUPAC name is N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]acetamide
PubChem CID141295964
Molecular FormulaC27H24N2O2
Molecular Weight408.50 g/mol
Exact Mass408.18
IUPAC NameN-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]acetamide
SMILESCc1noc(-c2ccc(-c3ccccc3)cc2)c1CC(=O)N[C@H]1CCc2ccccc21
InChIInChI=1S/C27H24N2O2/c1-18-24(17-26(30)28-25-16-15-21-9-5-6-10-23(21)25)27(31-29-18)22-13-11-20(12-14-22)19-7-3-2-4-8-19/h2-14,25H,15-17H2,1H3,(H,28,30)/t25-/m0/s1
InChIKeyNUOUUYLVQIYQKK-VWLOTQADSA-N
XLogP5.66
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.50
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1H-inden-1-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 42924290
N-(2,3-dihydro-1H-inden-1-yl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 18103852
1-[4-[4-[4-[2-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 66582076
N-(2,3-dihydro-1H-inden-1-yl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 51273832
N-(2,3-dihydro-1H-inden-1-yl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 47024255
[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]methyl N-cyclopentylcarbamate
CID 141295959
3-methyl-5-pyridin-4-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2-oxazole-4-carboxamide
CID 75160720
2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide
CID 51982400
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-methoxyacetamide
CID 24895519
5-(2,3-dihydro-1H-inden-1-ylamino)-3-methyl-5-oxopentanoic acid
CID 55155027
1-[4-[4-[3-methyl-4-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 158372225
N-(2,3-dihydro-1H-inden-1-yl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 24598370

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]acetamide?
The IUPAC name of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]acetamide (CID 141295964) is N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]acetamide.
What is the SMILES notation for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]acetamide?
The canonical SMILES for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]acetamide is Cc1noc(-c2ccc(-c3ccccc3)cc2)c1CC(=O)N[C@H]1CCc2ccccc21.
What is the InChIKey of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]acetamide?
The InChIKey is NUOUUYLVQIYQKK-VWLOTQADSA-N. The full InChI is InChI=1S/C27H24N2O2/c1-18-24(17-26(30)28-25-16-15-21-9-5-6-10-23(21)25)27(31-29-18)22-13-11-20(12-14-22)19-7-3-2-4-8-19/h2-14,25H,15-17H2,1H3,(H,28,30)/t25-/m0/s1.
What are the key properties of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]acetamide?
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]acetamide has a molecular weight of 408.50 g/mol, XLogP of 5.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]acetamide is sourced from PubChem (CID 141295964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).