5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-1,2-oxazole-4-carboxylic acid

C13H19N3O3 — CID 112753456

IUPAC5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-1,2-oxazole-4-carboxylic acid
SMILESO=C(O)c1cnoc1CN1CCN(CC2CC2)CC1
InChIInChI=1S/C13H19N3O3/c17-13(18)11-7-14-19-12(11)9-16-5-3-15(4-6-16)8-10-1-2-10/h7,10H,1-6,8-9H2,(H,17,18)
InChIKeySPTMTJKDKSCLIH-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.90
Rot. Bonds5

About 5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-1,2-oxazole-4-carboxylic acid

5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-1,2-oxazole-4-carboxylic acid (PubChem CID 112753456) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-1,2-oxazole-4-carboxylic acid
PubChem CID112753456
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-1,2-oxazole-4-carboxylic acid
SMILESO=C(O)c1cnoc1CN1CCN(CC2CC2)CC1
InChIInChI=1S/C13H19N3O3/c17-13(18)11-7-14-19-12(11)9-16-5-3-15(4-6-16)8-10-1-2-10/h7,10H,1-6,8-9H2,(H,17,18)
InChIKeySPTMTJKDKSCLIH-UHFFFAOYSA-N
XLogP0.90
TPSA69.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-1,2-oxazole-4-carboxylic acid (CID 112753456) is 5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-1,2-oxazole-4-carboxylic acid is O=C(O)c1cnoc1CN1CCN(CC2CC2)CC1.
What is the InChIKey of 5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-1,2-oxazole-4-carboxylic acid?
The InChIKey is SPTMTJKDKSCLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c17-13(18)11-7-14-19-12(11)9-16-5-3-15(4-6-16)8-10-1-2-10/h7,10H,1-6,8-9H2,(H,17,18).
What are the key properties of 5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-1,2-oxazole-4-carboxylic acid?
5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-1,2-oxazole-4-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 112753456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).