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

C18H22N2O5 — CID 125431179

IUPACN-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propanamide
SMILESCOc1cc(CCC(=O)N[C@H]2CCc3cc(OC)c(OC)cc32)on1
InChIInChI=1S/C18H22N2O5/c1-22-15-8-11-4-6-14(13(11)10-16(15)23-2)19-17(21)7-5-12-9-18(24-3)20-25-12/h8-10,14H,4-7H2,1-3H3,(H,19,21)/t14-/m0/s1
InChIKeyPNANDHWFBVGDFE-AWEZNQCLSA-N
MW346.38 g/mol
LogP2.44
Rot. Bonds7

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

N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propanamide (PubChem CID 125431179) has the molecular formula C18H22N2O5 and a molecular weight of 346.38 g/mol. Its IUPAC name is N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propanamide
PubChem CID125431179
Molecular FormulaC18H22N2O5
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC NameN-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propanamide
SMILESCOc1cc(CCC(=O)N[C@H]2CCc3cc(OC)c(OC)cc32)on1
InChIInChI=1S/C18H22N2O5/c1-22-15-8-11-4-6-14(13(11)10-16(15)23-2)19-17(21)7-5-12-9-18(24-3)20-25-12/h8-10,14H,4-7H2,1-3H3,(H,19,21)/t14-/m0/s1
InChIKeyPNANDHWFBVGDFE-AWEZNQCLSA-N
XLogP2.44
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(2-methoxyphenyl)isoxazole-3-carboxamide
CID 3241334
N-(3,4-dimethoxyphenethyl)-3-methoxyisoxazole-5-carboxamide
CID 71802444
N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 125431187
N-[1-(3,4-dimethoxyphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 6467763
3,5-dimethyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]-1,2-oxazole-4-carboxamide
CID 45824681
N-(1,3-benzodioxol-5-ylmethyl)-3-(3-methoxy-1,2-oxazol-5-yl)propanamide
CID 5306744
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 6468286
N-[1-(3,4-dimethoxyphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 6468751
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 8060436
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 8060437
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 8062141
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 8062142

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propanamide?
The IUPAC name of N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propanamide (CID 125431179) is N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propanamide.
What is the SMILES notation for N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propanamide?
The canonical SMILES for N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propanamide is COc1cc(CCC(=O)N[C@H]2CCc3cc(OC)c(OC)cc32)on1.
What is the InChIKey of N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propanamide?
The InChIKey is PNANDHWFBVGDFE-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H22N2O5/c1-22-15-8-11-4-6-14(13(11)10-16(15)23-2)19-17(21)7-5-12-9-18(24-3)20-25-12/h8-10,14H,4-7H2,1-3H3,(H,19,21)/t14-/m0/s1.
What are the key properties of N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propanamide?
N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propanamide has a molecular weight of 346.38 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 6 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-methoxy-1,2-oxazol-5-yl)propanamide is sourced from PubChem (CID 125431179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).