2-[2-(1-methylpyrrolidin-3-yl)-1,3-oxazol-5-yl]acetic acid

C10H14N2O3 — CID 115085042

IUPAC2-[2-(1-methylpyrrolidin-3-yl)-1,3-oxazol-5-yl]acetic acid
SMILESCN1CCC(c2ncc(CC(=O)O)o2)C1
InChIInChI=1S/C10H14N2O3/c1-12-3-2-7(6-12)10-11-5-8(15-10)4-9(13)14/h5,7H,2-4,6H2,1H3,(H,13,14)
InChIKeyRKVVFWCNTCBNKS-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.72
Rot. Bonds3

About 2-[2-(1-methylpyrrolidin-3-yl)-1,3-oxazol-5-yl]acetic acid

2-[2-(1-methylpyrrolidin-3-yl)-1,3-oxazol-5-yl]acetic acid (PubChem CID 115085042) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-[2-(1-methylpyrrolidin-3-yl)-1,3-oxazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(1-methylpyrrolidin-3-yl)-1,3-oxazol-5-yl]acetic acid
PubChem CID115085042
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-[2-(1-methylpyrrolidin-3-yl)-1,3-oxazol-5-yl]acetic acid
SMILESCN1CCC(c2ncc(CC(=O)O)o2)C1
InChIInChI=1S/C10H14N2O3/c1-12-3-2-7(6-12)10-11-5-8(15-10)4-9(13)14/h5,7H,2-4,6H2,1H3,(H,13,14)
InChIKeyRKVVFWCNTCBNKS-UHFFFAOYSA-N
XLogP0.72
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-5-yl]acetic acid
CID 115085180
2-[2-(1-ethylpiperidin-3-yl)-1,3-oxazol-5-yl]acetic acid
CID 115085641
N-methyl-1-[2-(1-methylpyrrolidin-3-yl)-1,3-oxazol-5-yl]propan-2-amine
CID 115085018
2-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]acetic acid
CID 115089869
2-[5-(1-methylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-yl]acetic acid
CID 115077063
2-[2-[(1S,2R)-2-methylcyclopropyl]-1,3-oxazol-5-yl]acetic acid
CID 125451996
2-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-oxazol-5-yl]acetic acid
CID 115085339
2-(2-pyrrolidin-2-yl-1,3-oxazol-5-yl)acetic acid
CID 115085791
1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-5-yl]propan-2-amine
CID 115085155
[(3R)-3-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 125004088
2-cyclopropyl-5-ethyl-1,3-oxazole
CID 146588546
[3-[5-(1-methylpyrrolidin-3-yl)-1H-imidazol-2-yl]oxetan-3-yl]methanol
CID 116882697

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methylpyrrolidin-3-yl)-1,3-oxazol-5-yl]acetic acid?
The IUPAC name of 2-[2-(1-methylpyrrolidin-3-yl)-1,3-oxazol-5-yl]acetic acid (CID 115085042) is 2-[2-(1-methylpyrrolidin-3-yl)-1,3-oxazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(1-methylpyrrolidin-3-yl)-1,3-oxazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-(1-methylpyrrolidin-3-yl)-1,3-oxazol-5-yl]acetic acid is CN1CCC(c2ncc(CC(=O)O)o2)C1.
What is the InChIKey of 2-[2-(1-methylpyrrolidin-3-yl)-1,3-oxazol-5-yl]acetic acid?
The InChIKey is RKVVFWCNTCBNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-12-3-2-7(6-12)10-11-5-8(15-10)4-9(13)14/h5,7H,2-4,6H2,1H3,(H,13,14).
What are the key properties of 2-[2-(1-methylpyrrolidin-3-yl)-1,3-oxazol-5-yl]acetic acid?
2-[2-(1-methylpyrrolidin-3-yl)-1,3-oxazol-5-yl]acetic acid has a molecular weight of 210.23 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methylpyrrolidin-3-yl)-1,3-oxazol-5-yl]acetic acid is sourced from PubChem (CID 115085042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).