5-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid

C13H19N3O4 — CID 63170748

IUPAC5-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(CN2CCC(N3CCOCC3)C2)on1
InChIInChI=1S/C13H19N3O4/c17-13(18)12-7-11(20-14-12)9-15-2-1-10(8-15)16-3-5-19-6-4-16/h7,10H,1-6,8-9H2,(H,17,18)
InChIKeyNHBJVTBSSLULBE-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.28
Rot. Bonds4

About 5-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid

5-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 63170748) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 5-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
PubChem CID63170748
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name5-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(CN2CCC(N3CCOCC3)C2)on1
InChIInChI=1S/C13H19N3O4/c17-13(18)12-7-11(20-14-12)9-15-2-1-10(8-15)16-3-5-19-6-4-16/h7,10H,1-6,8-9H2,(H,17,18)
InChIKeyNHBJVTBSSLULBE-UHFFFAOYSA-N
XLogP0.28
TPSA79.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-1,2-oxazole-3-carboxylic acid
CID 79938637
5-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]furan-2-carboxylic acid
CID 63170170
5-[(3,4-dihydroxypyrrolidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
CID 106670144
5-[[4-(dimethylamino)piperidin-1-yl]methyl]-1,2-oxazole-3-carboxylic acid
CID 61397827
4-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]-1,3-thiazole-2-carboxylic acid
CID 63170483
2,6-dibromo-4-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]phenol
CID 107740337
5-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-1,2-oxazole-3-carboxylic acid
CID 82691708
5-[(4-oxopiperidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
CID 61397903
5-(piperazin-1-ylmethyl)-1,2-oxazole-3-carboxylic acid
CID 61397942
N-[1-[5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carbonyl]pyrrolidin-3-yl]acetamide
CID 56755434
[5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 56706818
4-[1-[(2-bromophenyl)methyl]pyrrolidin-3-yl]morpholine
CID 63170781

Frequently Asked Questions

What is the IUPAC name of 5-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid (CID 63170748) is 5-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid is O=C(O)c1cc(CN2CCC(N3CCOCC3)C2)on1.
What is the InChIKey of 5-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is NHBJVTBSSLULBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c17-13(18)12-7-11(20-14-12)9-15-2-1-10(8-15)16-3-5-19-6-4-16/h7,10H,1-6,8-9H2,(H,17,18).
What are the key properties of 5-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid?
5-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 281.31 g/mol, XLogP of 0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 63170748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).