N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide

C19H24N2O4 — CID 9401010

IUPACN-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCOc1cc2c(cc1CNC(=O)c1c(CC)noc1C)O[C@@H](C)C2
InChIInChI=1S/C19H24N2O4/c1-5-15-18(12(4)25-21-15)19(22)20-10-14-9-17-13(7-11(3)24-17)8-16(14)23-6-2/h8-9,11H,5-7,10H2,1-4H3,(H,20,22)/t11-/m0/s1
InChIKeyKWWRDEDVXFIQPV-NSHDSACASA-N
MW344.41 g/mol
LogP3.20
Rot. Bonds6

About N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide

N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 9401010) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID9401010
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC NameN-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCOc1cc2c(cc1CNC(=O)c1c(CC)noc1C)O[C@@H](C)C2
InChIInChI=1S/C19H24N2O4/c1-5-15-18(12(4)25-21-15)19(22)20-10-14-9-17-13(7-11(3)24-17)8-16(14)23-6-2/h8-9,11H,5-7,10H2,1-4H3,(H,20,22)/t11-/m0/s1
InChIKeyKWWRDEDVXFIQPV-NSHDSACASA-N
XLogP3.20
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 ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide 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-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 9399647
N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 9399648
5-bromo-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]pyridine-3-carboxamide
CID 9398342
N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-3-methylbenzamide
CID 7670514
N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]cyclopropanecarboxamide
CID 8934556
N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]cyclopropanecarboxamide
CID 8934557
N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-methyl-1H-indole-3-carboxamide
CID 31799591
(2R)-N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-methylbutanamide
CID 51646725
(2R)-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-methylbutanamide
CID 51646726
2-(3,4-dimethylphenyl)-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]acetamide
CID 18198454
N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-methylsulfanylpyridine-3-carboxamide
CID 39966605
(2S)-2-amino-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]propanamide
CID 119272698

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide (CID 9401010) is N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide is CCOc1cc2c(cc1CNC(=O)c1c(CC)noc1C)O[C@@H](C)C2.
What is the InChIKey of N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is KWWRDEDVXFIQPV-NSHDSACASA-N. The full InChI is InChI=1S/C19H24N2O4/c1-5-15-18(12(4)25-21-15)19(22)20-10-14-9-17-13(7-11(3)24-17)8-16(14)23-6-2/h8-9,11H,5-7,10H2,1-4H3,(H,20,22)/t11-/m0/s1.
What are the key properties of N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 344.41 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 9401010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).