(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]propanamide

C19H24N2O4 — CID 97237845

IUPAC(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]propanamide
SMILESCOc1cc2c(cc1CNC(=O)[C@@H](C)c1c(C)noc1C)O[C@@H](C)C2
InChIInChI=1S/C19H24N2O4/c1-10-6-14-7-16(23-5)15(8-17(14)24-10)9-20-19(22)11(2)18-12(3)21-25-13(18)4/h7-8,10-11H,6,9H2,1-5H3,(H,20,22)/t10-,11-/m0/s1
InChIKeyPDZOJYMHWABCBC-QWRGUYRKSA-N
MW344.41 g/mol
LogP3.04
Rot. Bonds5

About (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]propanamide

(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]propanamide (PubChem CID 97237845) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]propanamide
PubChem CID97237845
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]propanamide
SMILESCOc1cc2c(cc1CNC(=O)[C@@H](C)c1c(C)noc1C)O[C@@H](C)C2
InChIInChI=1S/C19H24N2O4/c1-10-6-14-7-16(23-5)15(8-17(14)24-10)9-20-19(22)11(2)18-12(3)21-25-13(18)4/h7-8,10-11H,6,9H2,1-5H3,(H,20,22)/t10-,11-/m0/s1
InChIKeyPDZOJYMHWABCBC-QWRGUYRKSA-N
XLogP3.04
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
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

Analyze (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]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

(2R)-2-amino-N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]propanamide;hydrochloride
CID 120873345
N-ethyl-2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]propanamide
CID 78910537
ethyl 2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]propanoate
CID 115282644
N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]but-2-ynamide
CID 166405428
(2R)-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-methylbutanamide
CID 51646726
(2R)-N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-methylbutanamide
CID 51646725
1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 78942119
(2S)-2-amino-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]propanamide
CID 119272698
2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetic acid
CID 83890473
4-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 119948541
(2S)-2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-3-methylbutan-1-ol
CID 79831437
2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]acetamide
CID 78911544

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]propanamide?
The IUPAC name of (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]propanamide (CID 97237845) is (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]propanamide.
What is the SMILES notation for (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]propanamide?
The canonical SMILES for (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]propanamide is COc1cc2c(cc1CNC(=O)[C@@H](C)c1c(C)noc1C)O[C@@H](C)C2.
What is the InChIKey of (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]propanamide?
The InChIKey is PDZOJYMHWABCBC-QWRGUYRKSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-10-6-14-7-16(23-5)15(8-17(14)24-10)9-20-19(22)11(2)18-12(3)21-25-13(18)4/h7-8,10-11H,6,9H2,1-5H3,(H,20,22)/t10-,11-/m0/s1.
What are the key properties of (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]propanamide?
(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]propanamide has a molecular weight of 344.41 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]propanamide is sourced from PubChem (CID 97237845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).