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

C25H28N2O3 — CID 142856032

IUPACN,N-dimethyl-2-[(1S)-5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1H-inden-1-yl]acetamide
SMILESCc1oc(-c2ccccc2)nc1CCOc1ccc2c(c1)CC[C@H]2CC(=O)N(C)C
InChIInChI=1S/C25H28N2O3/c1-17-23(26-25(30-17)18-7-5-4-6-8-18)13-14-29-21-11-12-22-19(15-21)9-10-20(22)16-24(28)27(2)3/h4-8,11-12,15,20H,9-10,13-14,16H2,1-3H3/t20-/m0/s1
InChIKeyAJIKQPUKJYKBAQ-FQEVSTJZSA-N
MW404.51 g/mol
LogP4.78
Rot. Bonds7

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

N,N-dimethyl-2-[(1S)-5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1H-inden-1-yl]acetamide (PubChem CID 142856032) has the molecular formula C25H28N2O3 and a molecular weight of 404.51 g/mol. Its IUPAC name is N,N-dimethyl-2-[(1S)-5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1H-inden-1-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[(1S)-5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1H-inden-1-yl]acetamide
PubChem CID142856032
Molecular FormulaC25H28N2O3
Molecular Weight404.51 g/mol
Exact Mass404.21
IUPAC NameN,N-dimethyl-2-[(1S)-5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1H-inden-1-yl]acetamide
SMILESCc1oc(-c2ccccc2)nc1CCOc1ccc2c(c1)CC[C@H]2CC(=O)N(C)C
InChIInChI=1S/C25H28N2O3/c1-17-23(26-25(30-17)18-7-5-4-6-8-18)13-14-29-21-11-12-22-19(15-21)9-10-20(22)16-24(28)27(2)3/h4-8,11-12,15,20H,9-10,13-14,16H2,1-3H3/t20-/m0/s1
InChIKeyAJIKQPUKJYKBAQ-FQEVSTJZSA-N
XLogP4.78
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(1S)-5-[2-[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2,3-dihydro-1H-inden-1-yl]acetate
CID 86598051
2-[2-methyl-5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 10091852
N-[[5-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-2,3-dihydro-1H-inden-1-yl]methyl]hydroxylamine
CID 10807777
ethyl 2-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1-benzofuran-3-yl]acetate
CID 142856087
2-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-6-(2-phenylethyl)-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 10254629
2-[(1S)-5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-6-(2-phenylethynyl)-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 142856071
2-[5-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-2,3-dihydro-1H-inden-1-yl]butanoic acid
CID 10224123
3-[2-methyl-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoic acid
CID 58979220
2-[7-(2,4-difluorophenyl)-5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 10254963
N-[[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]hydroxylamine
CID 10784998
(3S)-7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-2H-chromene-3-carboxylic acid;sulfane
CID 159613387
(3S)-2-methyl-7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 10111117

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(1S)-5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1H-inden-1-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[(1S)-5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1H-inden-1-yl]acetamide (CID 142856032) is N,N-dimethyl-2-[(1S)-5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1H-inden-1-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[(1S)-5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1H-inden-1-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[(1S)-5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1H-inden-1-yl]acetamide is Cc1oc(-c2ccccc2)nc1CCOc1ccc2c(c1)CC[C@H]2CC(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-2-[(1S)-5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1H-inden-1-yl]acetamide?
The InChIKey is AJIKQPUKJYKBAQ-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H28N2O3/c1-17-23(26-25(30-17)18-7-5-4-6-8-18)13-14-29-21-11-12-22-19(15-21)9-10-20(22)16-24(28)27(2)3/h4-8,11-12,15,20H,9-10,13-14,16H2,1-3H3/t20-/m0/s1.
What are the key properties of N,N-dimethyl-2-[(1S)-5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1H-inden-1-yl]acetamide?
N,N-dimethyl-2-[(1S)-5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1H-inden-1-yl]acetamide has a molecular weight of 404.51 g/mol, XLogP of 4.78, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(1S)-5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1H-inden-1-yl]acetamide is sourced from PubChem (CID 142856032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).