[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium

C19H28N3O2+ — CID 8923105

IUPAC[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium
SMILESCc1cc(NC(=O)C[NH2+][C@@H](c2ccc(C(C)C)cc2)C(C)C)no1
InChIInChI=1S/C19H27N3O2/c1-12(2)15-6-8-16(9-7-15)19(13(3)4)20-11-18(23)21-17-10-14(5)24-22-17/h6-10,12-13,19-20H,11H2,1-5H3,(H,21,22,23)/p+1/t19-/m1/s1
InChIKeyXWFOPICUHZKWBB-LJQANCHMSA-O
MW330.45 g/mol
LogP3.01
Rot. Bonds7

About [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium

[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium (PubChem CID 8923105) has the molecular formula C19H28N3O2+ and a molecular weight of 330.45 g/mol. Its IUPAC name is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium.

Molecular Properties

Compound Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium
PubChem CID8923105
Molecular FormulaC19H28N3O2+
Molecular Weight330.45 g/mol
Exact Mass330.22
IUPAC Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium
SMILESCc1cc(NC(=O)C[NH2+][C@@H](c2ccc(C(C)C)cc2)C(C)C)no1
InChIInChI=1S/C19H27N3O2/c1-12(2)15-6-8-16(9-7-15)19(13(3)4)20-11-18(23)21-17-10-14(5)24-22-17/h6-10,12-13,19-20H,11H2,1-5H3,(H,21,22,23)/p+1/t19-/m1/s1
InChIKeyXWFOPICUHZKWBB-LJQANCHMSA-O
XLogP3.01
TPSA71.74 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium with MolForge

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Related Compounds

[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium
CID 8923109
N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-[[(1S)-1-(4-propan-2-ylphenyl)ethyl]amino]ethyl]sulfanylacetamide
CID 36612644
(Z)-N-(5-methyl-1,2-oxazol-3-yl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 92955062
[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium
CID 8923899
N-(5-methyl-1,2-oxazol-3-yl)-2-[[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 8998064
2-[(1S)-1-(4-fluorophenyl)ethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 94038397
2-methoxyethyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]azanium
CID 7391237
[2-(4-chloro-2-methylanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9132012
[2-(2,6-dimethylanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9131551
2-[(5-methyl-1,2-oxazol-3-yl)oxy]-N-(4-propan-2-ylphenyl)acetamide
CID 17396950
N-(5-methyl-1,2-oxazol-3-yl)-2-(2-methyl-5-propan-2-ylphenoxy)butanamide
CID 24533964
[2-(2,5-dimethylanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9131689

Frequently Asked Questions

What is the IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium?
The IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium (CID 8923105) is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium.
What is the SMILES notation for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium?
The canonical SMILES for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium is Cc1cc(NC(=O)C[NH2+][C@@H](c2ccc(C(C)C)cc2)C(C)C)no1.
What is the InChIKey of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium?
The InChIKey is XWFOPICUHZKWBB-LJQANCHMSA-O. The full InChI is InChI=1S/C19H27N3O2/c1-12(2)15-6-8-16(9-7-15)19(13(3)4)20-11-18(23)21-17-10-14(5)24-22-17/h6-10,12-13,19-20H,11H2,1-5H3,(H,21,22,23)/p+1/t19-/m1/s1.
What are the key properties of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium?
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium has a molecular weight of 330.45 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium is sourced from PubChem (CID 8923105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).