(3S)-3-[[(1R)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide

C18H23N3O3 — CID 97108176

IUPAC(3S)-3-[[(1R)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
SMILESCc1cc(NC(=O)C[C@H](C)N[C@H](C)[C@@H]2COc3ccccc32)no1
InChIInChI=1S/C18H23N3O3/c1-11(8-18(22)20-17-9-12(2)24-21-17)19-13(3)15-10-23-16-7-5-4-6-14(15)16/h4-7,9,11,13,15,19H,8,10H2,1-3H3,(H,20,21,22)/t11-,13+,15-/m0/s1
InChIKeyWSZNKTAAQLKBPN-LNSITVRQSA-N
MW329.40 g/mol
LogP2.85
Rot. Bonds6

About (3S)-3-[[(1R)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide

(3S)-3-[[(1R)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide (PubChem CID 97108176) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is (3S)-3-[[(1R)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide.

Molecular Properties

Compound Name(3S)-3-[[(1R)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
PubChem CID97108176
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name(3S)-3-[[(1R)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
SMILESCc1cc(NC(=O)C[C@H](C)N[C@H](C)[C@@H]2COc3ccccc32)no1
InChIInChI=1S/C18H23N3O3/c1-11(8-18(22)20-17-9-12(2)24-21-17)19-13(3)15-10-23-16-7-5-4-6-14(15)16/h4-7,9,11,13,15,19H,8,10H2,1-3H3,(H,20,21,22)/t11-,13+,15-/m0/s1
InChIKeyWSZNKTAAQLKBPN-LNSITVRQSA-N
XLogP2.85
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3S)-3-[[(1R)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide 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

3-[1-(2,3-dihydro-1-benzofuran-3-yl)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 86782007
(2S)-N-[(1R)-1-[(3S)-2,3-dihydro-1-benzofuran-3-yl]ethyl]-1-ethoxypropan-2-amine
CID 129423692
N-(3,4-dihydro-2H-chromen-4-yl)-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetamide
CID 46524067
N-(3,4-dihydro-2H-chromen-4-yl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 51083914
N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-9H-xanthene-9-carboxamide
CID 51111078
2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 41088855
2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 41088857
1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 38230150
2-[2-[2-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)hydrazinyl]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 55332295
N-[4-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-4-oxobutan-2-yl]benzamide
CID 51271024
3-cyclopropyl-N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]-3-phenylpropanamide
CID 110304406
cis-(1S,2R)-N-[(1S)-1-[(3S)-2,3-dihydro-1-benzofuran-3-yl]ethyl]-2-(3-methylphenyl)cyclopropane-1-carboxamide
CID 124859583

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[(1R)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
The IUPAC name of (3S)-3-[[(1R)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide (CID 97108176) is (3S)-3-[[(1R)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide.
What is the SMILES notation for (3S)-3-[[(1R)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
The canonical SMILES for (3S)-3-[[(1R)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide is Cc1cc(NC(=O)C[C@H](C)N[C@H](C)[C@@H]2COc3ccccc32)no1.
What is the InChIKey of (3S)-3-[[(1R)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
The InChIKey is WSZNKTAAQLKBPN-LNSITVRQSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-11(8-18(22)20-17-9-12(2)24-21-17)19-13(3)15-10-23-16-7-5-4-6-14(15)16/h4-7,9,11,13,15,19H,8,10H2,1-3H3,(H,20,21,22)/t11-,13+,15-/m0/s1.
What are the key properties of (3S)-3-[[(1R)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
(3S)-3-[[(1R)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide has a molecular weight of 329.40 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[(1R)-1-[(3R)-2,3-dihydro-1-benzofuran-3-yl]ethyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide is sourced from PubChem (CID 97108176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).