(2S)-2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C18H23N3O4 — CID 25329417

IUPAC(2S)-2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCCOc1cc2c(cc1N[C@@H](C)C(=O)Nc1cc(C)on1)O[C@@H](C)C2
InChIInChI=1S/C18H23N3O4/c1-5-23-16-8-13-6-10(2)24-15(13)9-14(16)19-12(4)18(22)20-17-7-11(3)25-21-17/h7-10,12,19H,5-6H2,1-4H3,(H,20,21,22)/t10-,12-/m0/s1
InChIKeyFIVPZTLPENWWGP-JQWIXIFHSA-N
MW345.40 g/mol
LogP3.14
Rot. Bonds6

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

(2S)-2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 25329417) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is (2S)-2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID25329417
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name(2S)-2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCCOc1cc2c(cc1N[C@@H](C)C(=O)Nc1cc(C)on1)O[C@@H](C)C2
InChIInChI=1S/C18H23N3O4/c1-5-23-16-8-13-6-10(2)24-15(13)9-14(16)19-12(4)18(22)20-17-7-11(3)25-21-17/h7-10,12,19H,5-6H2,1-4H3,(H,20,21,22)/t10-,12-/m0/s1
InChIKeyFIVPZTLPENWWGP-JQWIXIFHSA-N
XLogP3.14
TPSA85.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 25329420
(2R)-2-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]amino]-N-(4-methoxyphenyl)propanamide
CID 25376384
N-(2-bromo-4-methylphenyl)-2-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)amino]propanamide
CID 42926535
(2R)-N-(4-acetylphenyl)-2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]amino]propanamide
CID 25360341
(2S)-N-(2,4-dichlorophenyl)-2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]amino]propanamide
CID 25360069
(2S)-2-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]amino]-N-(4-nitrophenyl)propanamide
CID 25359808
(2S)-N-(3-cyanophenyl)-2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]amino]propanamide
CID 25361084
N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-methyl-3-(methylamino)propanamide
CID 79203858
(2R)-2-amino-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-methylbutanamide
CID 79011910
(2R)-N-(2-chloro-5-nitrophenyl)-2-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]amino]propanamide
CID 25359887
(2S)-N-(2-chloro-5-nitrophenyl)-2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]amino]propanamide
CID 25359885
3-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)carbamoylamino]propanoic acid
CID 122075038

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of (2S)-2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 25329417) is (2S)-2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for (2S)-2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for (2S)-2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is CCOc1cc2c(cc1N[C@@H](C)C(=O)Nc1cc(C)on1)O[C@@H](C)C2.
What is the InChIKey of (2S)-2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is FIVPZTLPENWWGP-JQWIXIFHSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-5-23-16-8-13-6-10(2)24-15(13)9-14(16)19-12(4)18(22)20-17-7-11(3)25-21-17/h7-10,12,19H,5-6H2,1-4H3,(H,20,21,22)/t10-,12-/m0/s1.
What are the key properties of (2S)-2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
(2S)-2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 345.40 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 25329417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).