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

C14H22N2O4 — CID 62041995

IUPAC4-methyl-4-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]pentanoic acid
SMILESCc1noc(C(C)C)c1C(=O)NC(C)(C)CCC(=O)O
InChIInChI=1S/C14H22N2O4/c1-8(2)12-11(9(3)16-20-12)13(19)15-14(4,5)7-6-10(17)18/h8H,6-7H2,1-5H3,(H,15,19)(H,17,18)
InChIKeyNOLSSAXTDWMMRI-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.48
Rot. Bonds6

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

4-methyl-4-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]pentanoic acid (PubChem CID 62041995) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 4-methyl-4-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-4-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]pentanoic acid
PubChem CID62041995
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name4-methyl-4-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]pentanoic acid
SMILESCc1noc(C(C)C)c1C(=O)NC(C)(C)CCC(=O)O
InChIInChI=1S/C14H22N2O4/c1-8(2)12-11(9(3)16-20-12)13(19)15-14(4,5)7-6-10(17)18/h8H,6-7H2,1-5H3,(H,15,19)(H,17,18)
InChIKeyNOLSSAXTDWMMRI-UHFFFAOYSA-N
XLogP2.48
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-(1-hydroxy-2-methylpropan-2-yl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 43500671
3-[tert-butyl-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]propanoic acid
CID 60827139
2-hydroxy-2-methyl-3-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]propanoic acid
CID 66173602
3-methyl-2-[[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]methyl]butanoic acid
CID 65219995
3-methyl-5-propan-2-yl-N-propyl-1,2-oxazole-4-carboxamide
CID 60667713
(2R)-4-methyl-2-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]pentanoic acid
CID 78975366
4-methyl-2-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]pentanoic acid
CID 43353375
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 110632729
4-methyl-4-[(4-methyl-1,3-oxazole-5-carbonyl)amino]pentanoic acid
CID 81362881
N-[2-(ethylamino)-2-oxoethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 9224852
3-methyl-N-[4-(phenylcarbamoylamino)phenyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 30780069
4-methyl-4-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]pentanoic acid
CID 62044160

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]pentanoic acid?
The IUPAC name of 4-methyl-4-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]pentanoic acid (CID 62041995) is 4-methyl-4-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 4-methyl-4-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]pentanoic acid?
The canonical SMILES for 4-methyl-4-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]pentanoic acid is Cc1noc(C(C)C)c1C(=O)NC(C)(C)CCC(=O)O.
What is the InChIKey of 4-methyl-4-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]pentanoic acid?
The InChIKey is NOLSSAXTDWMMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-8(2)12-11(9(3)16-20-12)13(19)15-14(4,5)7-6-10(17)18/h8H,6-7H2,1-5H3,(H,15,19)(H,17,18).
What are the key properties of 4-methyl-4-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]pentanoic acid?
4-methyl-4-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]pentanoic acid has a molecular weight of 282.34 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 62041995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).