2-methyl-3-[4-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]phenyl]propanoic acid

C18H22N2O4 — CID 120541105

IUPAC2-methyl-3-[4-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]phenyl]propanoic acid
SMILESCc1noc(C(C)C)c1C(=O)Nc1ccc(CC(C)C(=O)O)cc1
InChIInChI=1S/C18H22N2O4/c1-10(2)16-15(12(4)20-24-16)17(21)19-14-7-5-13(6-8-14)9-11(3)18(22)23/h5-8,10-11H,9H2,1-4H3,(H,19,21)(H,22,23)
InChIKeyHNSBPPFIYVBQTN-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.62
Rot. Bonds6

About 2-methyl-3-[4-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]phenyl]propanoic acid

2-methyl-3-[4-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]phenyl]propanoic acid (PubChem CID 120541105) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 2-methyl-3-[4-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]phenyl]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[4-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]phenyl]propanoic acid
PubChem CID120541105
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name2-methyl-3-[4-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]phenyl]propanoic acid
SMILESCc1noc(C(C)C)c1C(=O)Nc1ccc(CC(C)C(=O)O)cc1
InChIInChI=1S/C18H22N2O4/c1-10(2)16-15(12(4)20-24-16)17(21)19-14-7-5-13(6-8-14)9-11(3)18(22)23/h5-8,10-11H,9H2,1-4H3,(H,19,21)(H,22,23)
InChIKeyHNSBPPFIYVBQTN-UHFFFAOYSA-N
XLogP3.62
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-3-[4-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]phenyl]propanoic acid with MolForge

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Related Compounds

3-methyl-N-[4-(phenylcarbamoylamino)phenyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 30780069
2-methyl-3-[4-[(3-methyl-1,2-oxazole-5-carbonyl)amino]phenyl]propanoic acid
CID 120540971
3-methyl-5-propan-2-yl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-1,2-oxazole-4-carboxamide
CID 110622826
N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 102603899
N-(3-chloro-4-methylphenyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 9068444
3-methyl-5-propan-2-yl-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-1,2-oxazole-4-carboxamide
CID 110621004
3-[4-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]amino]phenyl]-2-methylpropanoic acid
CID 120541216
3-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 8534241
3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 26700942
3-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 26700945
2-[5-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]indol-1-yl]acetic acid
CID 119235417
3-methyl-N-(6-phenoxy-3-pyridinyl)-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 47789323

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[4-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]phenyl]propanoic acid?
The IUPAC name of 2-methyl-3-[4-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]phenyl]propanoic acid (CID 120541105) is 2-methyl-3-[4-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]phenyl]propanoic acid.
What is the SMILES notation for 2-methyl-3-[4-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]phenyl]propanoic acid?
The canonical SMILES for 2-methyl-3-[4-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]phenyl]propanoic acid is Cc1noc(C(C)C)c1C(=O)Nc1ccc(CC(C)C(=O)O)cc1.
What is the InChIKey of 2-methyl-3-[4-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]phenyl]propanoic acid?
The InChIKey is HNSBPPFIYVBQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-10(2)16-15(12(4)20-24-16)17(21)19-14-7-5-13(6-8-14)9-11(3)18(22)23/h5-8,10-11H,9H2,1-4H3,(H,19,21)(H,22,23).
What are the key properties of 2-methyl-3-[4-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]phenyl]propanoic acid?
2-methyl-3-[4-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]phenyl]propanoic acid has a molecular weight of 330.38 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[4-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]phenyl]propanoic acid is sourced from PubChem (CID 120541105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).