(2S)-2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C17H21N3O5 — CID 112507075

IUPAC(2S)-2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCOc1ccc(CC(=O)N[C@@H](C)C(=O)Nc2cc(C)on2)cc1OC
InChIInChI=1S/C17H21N3O5/c1-10-7-15(20-25-10)19-17(22)11(2)18-16(21)9-12-5-6-13(23-3)14(8-12)24-4/h5-8,11H,9H2,1-4H3,(H,18,21)(H,19,20,22)/t11-/m0/s1
InChIKeyCDLWPVYJUBSDCM-NSHDSACASA-N
MW347.37 g/mol
LogP1.69
Rot. Bonds7

About (2S)-2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

(2S)-2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 112507075) has the molecular formula C17H21N3O5 and a molecular weight of 347.37 g/mol. Its IUPAC name is (2S)-2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID112507075
Molecular FormulaC17H21N3O5
Molecular Weight347.37 g/mol
Exact Mass347.15
IUPAC Name(2S)-2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCOc1ccc(CC(=O)N[C@@H](C)C(=O)Nc2cc(C)on2)cc1OC
InChIInChI=1S/C17H21N3O5/c1-10-7-15(20-25-10)19-17(22)11(2)18-16(21)9-12-5-6-13(23-3)14(8-12)24-4/h5-8,11H,9H2,1-4H3,(H,18,21)(H,19,20,22)/t11-/m0/s1
InChIKeyCDLWPVYJUBSDCM-NSHDSACASA-N
XLogP1.69
TPSA102.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3,4-dimethoxyphenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 109003159
2-(3-chloro-4-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110767105
(2S)-2-[(2-aminoacetyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 22689772
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(3-phenylpropanoylamino)propanamide
CID 112507057
2-[4-(2-methoxyphenoxy)anilino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 17396421
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(3-phenoxypropanoylamino)propanamide
CID 112507061
(2R)-2-[4-(2-methoxyphenoxy)anilino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 41016115
N-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1,2-oxazol-3-amine
CID 75355483
5-(4-fluorophenyl)-N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]pentanamide
CID 110304419
2-(2,4-dimethoxyphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 19058874
2-[[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]acetyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 110420882
2-[2-(3,4-dimethoxyphenyl)ethyl-methylsulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 113152535

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of (2S)-2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 112507075) is (2S)-2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for (2S)-2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for (2S)-2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is COc1ccc(CC(=O)N[C@@H](C)C(=O)Nc2cc(C)on2)cc1OC.
What is the InChIKey of (2S)-2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is CDLWPVYJUBSDCM-NSHDSACASA-N. The full InChI is InChI=1S/C17H21N3O5/c1-10-7-15(20-25-10)19-17(22)11(2)18-16(21)9-12-5-6-13(23-3)14(8-12)24-4/h5-8,11H,9H2,1-4H3,(H,18,21)(H,19,20,22)/t11-/m0/s1.
What are the key properties of (2S)-2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
(2S)-2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 347.37 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 112507075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).