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

C20H22N4O4 — CID 110420882

IUPAC2-[[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]acetyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1ccc(-c2nc(CC(=O)NC(C)C(=O)Nc3cc(C)on3)c(C)o2)cc1
InChIInChI=1S/C20H22N4O4/c1-11-5-7-15(8-6-11)20-22-16(14(4)27-20)10-18(25)21-13(3)19(26)23-17-9-12(2)28-24-17/h5-9,13H,10H2,1-4H3,(H,21,25)(H,23,24,26)
InChIKeyMHFBLUPQQSVOKI-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.94
Rot. Bonds6

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

2-[[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]acetyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 110420882) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is 2-[[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]acetyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name2-[[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]acetyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID110420882
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC Name2-[[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]acetyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1ccc(-c2nc(CC(=O)NC(C)C(=O)Nc3cc(C)on3)c(C)o2)cc1
InChIInChI=1S/C20H22N4O4/c1-11-5-7-15(8-6-11)20-22-16(14(4)27-20)10-18(25)21-13(3)19(26)23-17-9-12(2)28-24-17/h5-9,13H,10H2,1-4H3,(H,21,25)(H,23,24,26)
InChIKeyMHFBLUPQQSVOKI-UHFFFAOYSA-N
XLogP2.94
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid
CID 119238230
(2S)-2-[(2-aminoacetyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 22689772
(2S)-2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 112507075
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(3-phenylpropanoylamino)propanamide
CID 112507057
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(3-phenoxypropanoylamino)propanamide
CID 112507061
(2S)-2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 112507063
2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]acetamide
CID 110632372
4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]-N-propan-2-ylbenzamide
CID 20916648
2-[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]acetamide
CID 110632482
N-(1,3-benzodioxol-5-yl)-2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110371664
3-(4-fluorophenyl)-4-methyl-N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]pentanamide
CID 110353718
3-cyclopropyl-N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]-3-phenylpropanamide
CID 110304406

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]acetyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of 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) is 2-[[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]acetyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for 2-[[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]acetyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for 2-[[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]acetyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is Cc1ccc(-c2nc(CC(=O)NC(C)C(=O)Nc3cc(C)on3)c(C)o2)cc1.
What is the InChIKey of 2-[[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]acetyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is MHFBLUPQQSVOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-11-5-7-15(8-6-11)20-22-16(14(4)27-20)10-18(25)21-13(3)19(26)23-17-9-12(2)28-24-17/h5-9,13H,10H2,1-4H3,(H,21,25)(H,23,24,26).
What are the key properties of 2-[[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]acetyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
2-[[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]acetyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 382.42 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]acetyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 110420882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).