2-[(5-methyl-1,3-oxazol-2-yl)methylamino]pentanoic acid

C10H16N2O3 — CID 104546739

IUPAC2-[(5-methyl-1,3-oxazol-2-yl)methylamino]pentanoic acid
SMILESCCCC(NCc1ncc(C)o1)C(=O)O
InChIInChI=1S/C10H16N2O3/c1-3-4-8(10(13)14)11-6-9-12-5-7(2)15-9/h5,8,11H,3-4,6H2,1-2H3,(H,13,14)
InChIKeyWYTFKWAOROCVRA-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.33
Rot. Bonds6

About 2-[(5-methyl-1,3-oxazol-2-yl)methylamino]pentanoic acid

2-[(5-methyl-1,3-oxazol-2-yl)methylamino]pentanoic acid (PubChem CID 104546739) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-[(5-methyl-1,3-oxazol-2-yl)methylamino]pentanoic acid.

Molecular Properties

Compound Name2-[(5-methyl-1,3-oxazol-2-yl)methylamino]pentanoic acid
PubChem CID104546739
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name2-[(5-methyl-1,3-oxazol-2-yl)methylamino]pentanoic acid
SMILESCCCC(NCc1ncc(C)o1)C(=O)O
InChIInChI=1S/C10H16N2O3/c1-3-4-8(10(13)14)11-6-9-12-5-7(2)15-9/h5,8,11H,3-4,6H2,1-2H3,(H,13,14)
InChIKeyWYTFKWAOROCVRA-UHFFFAOYSA-N
XLogP1.33
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-Methyl-1,3-oxazol-2-yl)ethan-1-amine
CID 24255020
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-N-(pyrrolidin-3-yl)acetamide
CID 71873202
2-[(5-Methyl-1,3-oxazol-2-yl)methyl-propan-2-ylamino]acetamide
CID 71989151
ethyl N-[1-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]carbamate
CID 75374923
(3S)-3-methyl-4-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-propylpiperazin-2-one
CID 99823808
tert-butyl N-[(1S,2S)-1-[5-(bromomethyl)-1,3-oxazol-2-yl]-2-methylbutyl]carbamate
CID 53466017
tert-butyl N-[(1S)-1-[5-(bromomethyl)-1,3-oxazol-2-yl]-2-methylpropyl]carbamate
CID 53468360
tert-butyl N-[(1S)-1-[5-(bromomethyl)-1,3-oxazol-2-yl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]carbamate
CID 134944525
1-[5-(fluoromethyl)-1,3-oxazol-2-yl]-N-methylethanamine
CID 84764003
2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 103893561
2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 103893580
4,4,4-trifluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]butan-1-amine
CID 103893754

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,3-oxazol-2-yl)methylamino]pentanoic acid?
The IUPAC name of 2-[(5-methyl-1,3-oxazol-2-yl)methylamino]pentanoic acid (CID 104546739) is 2-[(5-methyl-1,3-oxazol-2-yl)methylamino]pentanoic acid.
What is the SMILES notation for 2-[(5-methyl-1,3-oxazol-2-yl)methylamino]pentanoic acid?
The canonical SMILES for 2-[(5-methyl-1,3-oxazol-2-yl)methylamino]pentanoic acid is CCCC(NCc1ncc(C)o1)C(=O)O.
What is the InChIKey of 2-[(5-methyl-1,3-oxazol-2-yl)methylamino]pentanoic acid?
The InChIKey is WYTFKWAOROCVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-3-4-8(10(13)14)11-6-9-12-5-7(2)15-9/h5,8,11H,3-4,6H2,1-2H3,(H,13,14).
What are the key properties of 2-[(5-methyl-1,3-oxazol-2-yl)methylamino]pentanoic acid?
2-[(5-methyl-1,3-oxazol-2-yl)methylamino]pentanoic acid has a molecular weight of 212.25 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,3-oxazol-2-yl)methylamino]pentanoic acid is sourced from PubChem (CID 104546739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).