N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide

C19H24N2O4 — CID 125432396

IUPACN-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
SMILESCOc1cc2c(cc1OC)[C@@H](NC(=O)CCc1c(C)noc1C)CC2
InChIInChI=1S/C19H24N2O4/c1-11-14(12(2)25-21-11)6-8-19(22)20-16-7-5-13-9-17(23-3)18(24-4)10-15(13)16/h9-10,16H,5-8H2,1-4H3,(H,20,22)/t16-/m0/s1
InChIKeySJYMGYMNOKPHQC-INIZCTEOSA-N
MW344.41 g/mol
LogP3.04
Rot. Bonds6

About N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide

N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide (PubChem CID 125432396) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
PubChem CID125432396
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC NameN-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
SMILESCOc1cc2c(cc1OC)[C@@H](NC(=O)CCc1c(C)noc1C)CC2
InChIInChI=1S/C19H24N2O4/c1-11-14(12(2)25-21-11)6-8-19(22)20-16-7-5-13-9-17(23-3)18(24-4)10-15(13)16/h9-10,16H,5-8H2,1-4H3,(H,20,22)/t16-/m0/s1
InChIKeySJYMGYMNOKPHQC-INIZCTEOSA-N
XLogP3.04
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propanamide
CID 125431179
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-3-(2-methoxyphenyl)propanamide
CID 110399723
3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]propanamide
CID 125429260
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide
CID 47025801
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]butanamide
CID 128962603
1-[6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one
CID 43949117
N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-3-[3,5-dimethyl-4-(2-methylprop-2-enyl)pyrazol-1-yl]propanamide
CID 125433046
N-(2,3-dihydro-1H-inden-1-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 42924290
ethyl N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)carbamate
CID 110399711
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4S)-1-(4-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]propanamide
CID 51494508
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
CID 128963304
N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-3-(1H-indol-3-yl)propanamide
CID 125430344

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide?
The IUPAC name of N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide (CID 125432396) is N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide.
What is the SMILES notation for N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide?
The canonical SMILES for N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide is COc1cc2c(cc1OC)[C@@H](NC(=O)CCc1c(C)noc1C)CC2.
What is the InChIKey of N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide?
The InChIKey is SJYMGYMNOKPHQC-INIZCTEOSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-11-14(12(2)25-21-11)6-8-19(22)20-16-7-5-13-9-17(23-3)18(24-4)10-15(13)16/h9-10,16H,5-8H2,1-4H3,(H,20,22)/t16-/m0/s1.
What are the key properties of N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide?
N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide has a molecular weight of 344.41 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide is sourced from PubChem (CID 125432396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).