6-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4,4-dimethylhexanoic acid

C15H22N2O4 — CID 65284499

IUPAC6-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4,4-dimethylhexanoic acid
SMILESCC(C)(CCNC(=O)c1cc(C2CC2)on1)CCC(=O)O
InChIInChI=1S/C15H22N2O4/c1-15(2,6-5-13(18)19)7-8-16-14(20)11-9-12(21-17-11)10-3-4-10/h9-10H,3-8H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyNQLMIXLBXHMCOZ-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.56
Rot. Bonds8

About 6-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4,4-dimethylhexanoic acid

6-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4,4-dimethylhexanoic acid (PubChem CID 65284499) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 6-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4,4-dimethylhexanoic acid.

Molecular Properties

Compound Name6-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4,4-dimethylhexanoic acid
PubChem CID65284499
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name6-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4,4-dimethylhexanoic acid
SMILESCC(C)(CCNC(=O)c1cc(C2CC2)on1)CCC(=O)O
InChIInChI=1S/C15H22N2O4/c1-15(2,6-5-13(18)19)7-8-16-14(20)11-9-12(21-17-11)10-3-4-10/h9-10H,3-8H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyNQLMIXLBXHMCOZ-UHFFFAOYSA-N
XLogP2.56
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4,4-dimethyl-6-[(5-methyl-1,2-oxazole-3-carbonyl)amino]hexanoic acid
CID 65284270
6-[(4-chloropyridine-2-carbonyl)amino]-4,4-dimethylhexanoic acid
CID 65283971
5-cyclopropyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1,2-oxazole-3-carboxamide
CID 113239583
2-[tert-butyl-(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]acetic acid
CID 79265864
3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-2,2,3-trimethylbutanoic acid
CID 65261347
5-cyclopropyl-N-[(4-hydroxypiperidin-4-yl)methyl]-1,2-oxazole-3-carboxamide
CID 130188168
5-cyclopropyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 34140596
N-(2-chloroprop-2-enyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 115636972
2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4-hydroxybutanoic acid
CID 61243121
5-cyclopropyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-1,2-oxazole-3-carboxamide
CID 113434991
3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4,4,4-trifluorobutanoic acid
CID 166241795
6-[(6-fluoropyridine-2-carbonyl)amino]-4,4-dimethylhexanoic acid
CID 115496471

Frequently Asked Questions

What is the IUPAC name of 6-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4,4-dimethylhexanoic acid?
The IUPAC name of 6-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4,4-dimethylhexanoic acid (CID 65284499) is 6-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4,4-dimethylhexanoic acid.
What is the SMILES notation for 6-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4,4-dimethylhexanoic acid?
The canonical SMILES for 6-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4,4-dimethylhexanoic acid is CC(C)(CCNC(=O)c1cc(C2CC2)on1)CCC(=O)O.
What is the InChIKey of 6-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4,4-dimethylhexanoic acid?
The InChIKey is NQLMIXLBXHMCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-15(2,6-5-13(18)19)7-8-16-14(20)11-9-12(21-17-11)10-3-4-10/h9-10H,3-8H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 6-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4,4-dimethylhexanoic acid?
6-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4,4-dimethylhexanoic acid has a molecular weight of 294.35 g/mol, XLogP of 2.56, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4,4-dimethylhexanoic acid is sourced from PubChem (CID 65284499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).