1-[1-(1,2-oxazole-3-carbonyl)piperidin-4-yl]pyrrole-2-carboxylic acid

C14H15N3O4 — CID 62715383

IUPAC1-[1-(1,2-oxazole-3-carbonyl)piperidin-4-yl]pyrrole-2-carboxylic acid
SMILESO=C(O)c1cccn1C1CCN(C(=O)c2ccon2)CC1
InChIInChI=1S/C14H15N3O4/c18-13(11-5-9-21-15-11)16-7-3-10(4-8-16)17-6-1-2-12(17)14(19)20/h1-2,5-6,9-10H,3-4,7-8H2,(H,19,20)
InChIKeyDKQMDHZHLHSDID-UHFFFAOYSA-N
MW289.29 g/mol
LogP1.65
Rot. Bonds3

About 1-[1-(1,2-oxazole-3-carbonyl)piperidin-4-yl]pyrrole-2-carboxylic acid

1-[1-(1,2-oxazole-3-carbonyl)piperidin-4-yl]pyrrole-2-carboxylic acid (PubChem CID 62715383) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is 1-[1-(1,2-oxazole-3-carbonyl)piperidin-4-yl]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-[1-(1,2-oxazole-3-carbonyl)piperidin-4-yl]pyrrole-2-carboxylic acid
PubChem CID62715383
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name1-[1-(1,2-oxazole-3-carbonyl)piperidin-4-yl]pyrrole-2-carboxylic acid
SMILESO=C(O)c1cccn1C1CCN(C(=O)c2ccon2)CC1
InChIInChI=1S/C14H15N3O4/c18-13(11-5-9-21-15-11)16-7-3-10(4-8-16)17-6-1-2-12(17)14(19)20/h1-2,5-6,9-10H,3-4,7-8H2,(H,19,20)
InChIKeyDKQMDHZHLHSDID-UHFFFAOYSA-N
XLogP1.65
TPSA88.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 96349749
3-Fluoro-1-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 119259086
[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone
CID 167754143
Ethyl 1-[3-[2-methylpropyl-[5-(1-methylpyrrol-2-yl)-1,2-oxazole-3-carbonyl]amino]propanoyl]piperidine-4-carboxylate
CID 45984462
2-{[2-(3-Methylisoxazol-5-yl)pyrrolidin-1-yl]methyl}nicotinic acid
CID 50951702
1-({3-[(1-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-2(1H)-yl)carbonyl]isoxazol-5-yl}methyl)piperidin-4-ol
CID 56713227
N-[2-hydroxy-2-(1-methyl-1H-pyrrol-2-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 71781566
N-(3-hydroxy-3-(1-methyl-1H-pyrrol-2-yl)propyl)-5-methylisoxazole-3-carboxamide
CID 86266703
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1H-pyrrole-2-carboxylic acid
CID 79113217
[5-(1-Methylpyrrol-2-yl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone
CID 139676239
3-[2-Methylpropyl-[5-(1-methylpyrrol-2-yl)-1,2-oxazole-3-carbonyl]amino]propanoic acid
CID 42821218
Ethyl 1-[2-[[5-(1-methylpyrrol-2-yl)-1,2-oxazole-3-carbonyl]amino]propanoyl]piperidine-4-carboxylate
CID 42821959

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,2-oxazole-3-carbonyl)piperidin-4-yl]pyrrole-2-carboxylic acid?
The IUPAC name of 1-[1-(1,2-oxazole-3-carbonyl)piperidin-4-yl]pyrrole-2-carboxylic acid (CID 62715383) is 1-[1-(1,2-oxazole-3-carbonyl)piperidin-4-yl]pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-[1-(1,2-oxazole-3-carbonyl)piperidin-4-yl]pyrrole-2-carboxylic acid?
The canonical SMILES for 1-[1-(1,2-oxazole-3-carbonyl)piperidin-4-yl]pyrrole-2-carboxylic acid is O=C(O)c1cccn1C1CCN(C(=O)c2ccon2)CC1.
What is the InChIKey of 1-[1-(1,2-oxazole-3-carbonyl)piperidin-4-yl]pyrrole-2-carboxylic acid?
The InChIKey is DKQMDHZHLHSDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c18-13(11-5-9-21-15-11)16-7-3-10(4-8-16)17-6-1-2-12(17)14(19)20/h1-2,5-6,9-10H,3-4,7-8H2,(H,19,20).
What are the key properties of 1-[1-(1,2-oxazole-3-carbonyl)piperidin-4-yl]pyrrole-2-carboxylic acid?
1-[1-(1,2-oxazole-3-carbonyl)piperidin-4-yl]pyrrole-2-carboxylic acid has a molecular weight of 289.29 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,2-oxazole-3-carbonyl)piperidin-4-yl]pyrrole-2-carboxylic acid is sourced from PubChem (CID 62715383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).