5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3,3-dimethyl-5-oxopentanoic acid

C13H20N2O4 — CID 106703129

IUPAC5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3,3-dimethyl-5-oxopentanoic acid
SMILESCc1nc(CNC(=O)CC(C)(C)CC(=O)O)oc1C
InChIInChI=1S/C13H20N2O4/c1-8-9(2)19-11(15-8)7-14-10(16)5-13(3,4)6-12(17)18/h5-7H2,1-4H3,(H,14,16)(H,17,18)
InChIKeyOUADQZYMJKHQOF-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.80
Rot. Bonds6

About 5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3,3-dimethyl-5-oxopentanoic acid

5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3,3-dimethyl-5-oxopentanoic acid (PubChem CID 106703129) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3,3-dimethyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3,3-dimethyl-5-oxopentanoic acid
PubChem CID106703129
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3,3-dimethyl-5-oxopentanoic acid
SMILESCc1nc(CNC(=O)CC(C)(C)CC(=O)O)oc1C
InChIInChI=1S/C13H20N2O4/c1-8-9(2)19-11(15-8)7-14-10(16)5-13(3,4)6-12(17)18/h5-7H2,1-4H3,(H,14,16)(H,17,18)
InChIKeyOUADQZYMJKHQOF-UHFFFAOYSA-N
XLogP1.80
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-6-oxohexanoic acid
CID 106370238
3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4,4-dimethylpentanamide
CID 114180290
1-tert-butyl-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea
CID 103752681
2-[[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoylamino]acetyl]amino]acetic acid
CID 106374923
2-cyano-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]acetamide
CID 104696925
2-[1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-oxoethyl]cyclopentyl]acetic acid
CID 106370228
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(prop-2-ynylamino)acetamide
CID 106371733
ethyl 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-oxoacetate
CID 106375940
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]hydroxylamine
CID 82594349
3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]hexanamide
CID 114180296
3,3-dimethyl-5-[(4-methyl-1,3-thiazol-2-yl)methylamino]-5-oxopentanoic acid
CID 62934592
2-[2-(aminomethyl)phenyl]-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]acetamide
CID 106371582

Frequently Asked Questions

What is the IUPAC name of 5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3,3-dimethyl-5-oxopentanoic acid?
The IUPAC name of 5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3,3-dimethyl-5-oxopentanoic acid (CID 106703129) is 5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3,3-dimethyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3,3-dimethyl-5-oxopentanoic acid?
The canonical SMILES for 5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3,3-dimethyl-5-oxopentanoic acid is Cc1nc(CNC(=O)CC(C)(C)CC(=O)O)oc1C.
What is the InChIKey of 5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3,3-dimethyl-5-oxopentanoic acid?
The InChIKey is OUADQZYMJKHQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-8-9(2)19-11(15-8)7-14-10(16)5-13(3,4)6-12(17)18/h5-7H2,1-4H3,(H,14,16)(H,17,18).
What are the key properties of 5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3,3-dimethyl-5-oxopentanoic acid?
5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3,3-dimethyl-5-oxopentanoic acid has a molecular weight of 268.31 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3,3-dimethyl-5-oxopentanoic acid is sourced from PubChem (CID 106703129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).