6-[2-[3-(4-piperidin-4-yloxyphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid;hydrochloride

C23H24ClN3O5 — CID 24801051

IUPAC6-[2-[3-(4-piperidin-4-yloxyphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cccc(-c2cnc(C(=O)CCc3ccc(OC4CCNCC4)cc3)o2)n1
InChIInChI=1S/C23H23N3O5.ClH/c27-20(22-25-14-21(31-22)18-2-1-3-19(26-18)23(28)29)9-6-15-4-7-16(8-5-15)30-17-10-12-24-13-11-17;/h1-5,7-8,14,17,24H,6,9-13H2,(H,28,29);1H
InChIKeyYGUVHGNZCMSNCR-UHFFFAOYSA-N
MW457.91 g/mol
LogP3.80
Rot. Bonds8

About 6-[2-[3-(4-piperidin-4-yloxyphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid;hydrochloride

6-[2-[3-(4-piperidin-4-yloxyphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid;hydrochloride (PubChem CID 24801051) has the molecular formula C23H24ClN3O5 and a molecular weight of 457.91 g/mol. Its IUPAC name is 6-[2-[3-(4-piperidin-4-yloxyphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name6-[2-[3-(4-piperidin-4-yloxyphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid;hydrochloride
PubChem CID24801051
Molecular FormulaC23H24ClN3O5
Molecular Weight457.91 g/mol
Exact Mass457.14
IUPAC Name6-[2-[3-(4-piperidin-4-yloxyphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cccc(-c2cnc(C(=O)CCc3ccc(OC4CCNCC4)cc3)o2)n1
InChIInChI=1S/C23H23N3O5.ClH/c27-20(22-25-14-21(31-22)18-2-1-3-19(26-18)23(28)29)9-6-15-4-7-16(8-5-15)30-17-10-12-24-13-11-17;/h1-5,7-8,14,17,24H,6,9-13H2,(H,28,29);1H
InChIKeyYGUVHGNZCMSNCR-UHFFFAOYSA-N
XLogP3.80
TPSA114.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.91
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[2-[3-(4-piperidin-4-yloxyphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid;hydrochloride with MolForge

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Related Compounds

6-[2-[3-(4-piperidin-4-yloxyphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid
CID 24801052
3-(4-piperidin-4-yloxyphenyl)propanoic acid;hydrochloride
CID 68915059
ethyl 6-[2-[3-(4-phenylphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate
CID 24800513
6-[2-[4-[1-[(3-cyclohexyloxyphenyl)methyl]piperidin-4-yl]butanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid
CID 16747034
6-[2-[3-[4-(phenoxymethyl)phenyl]propanoyl]-1,3-oxazol-5-yl]pyridine-2-carbonitrile
CID 24800521
3-(4-phenylphenyl)-1-[5-[6-(2H-tetrazol-5-yl)-2-pyridinyl]-1,3-oxazol-2-yl]propan-1-one
CID 24799306
methyl 3-[4-(azepan-4-yloxy)phenyl]propanoate
CID 117095090
carbon dioxide;3-[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]-1-[5-(6-methyl-2-pyridinyl)-1,3-oxazol-2-yl]propan-1-one
CID 160559071
1-(4-cyclopropyloxyphenyl)-2-piperidin-4-yloxyethanone
CID 114520610
3-[4-(azetidin-3-yloxy)phenyl]-1-(5-propan-2-yl-1H-pyrazol-3-yl)propan-1-one
CID 153063185
methyl 3-(4-pyrrolidin-3-yloxyphenyl)propanoate
CID 117095058
2-(6-piperidin-4-yloxynaphthalen-2-yl)acetic acid
CID 170886812

Frequently Asked Questions

What is the IUPAC name of 6-[2-[3-(4-piperidin-4-yloxyphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid;hydrochloride?
The IUPAC name of 6-[2-[3-(4-piperidin-4-yloxyphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid;hydrochloride (CID 24801051) is 6-[2-[3-(4-piperidin-4-yloxyphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 6-[2-[3-(4-piperidin-4-yloxyphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid;hydrochloride?
The canonical SMILES for 6-[2-[3-(4-piperidin-4-yloxyphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid;hydrochloride is Cl.O=C(O)c1cccc(-c2cnc(C(=O)CCc3ccc(OC4CCNCC4)cc3)o2)n1.
What is the InChIKey of 6-[2-[3-(4-piperidin-4-yloxyphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid;hydrochloride?
The InChIKey is YGUVHGNZCMSNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O5.ClH/c27-20(22-25-14-21(31-22)18-2-1-3-19(26-18)23(28)29)9-6-15-4-7-16(8-5-15)30-17-10-12-24-13-11-17;/h1-5,7-8,14,17,24H,6,9-13H2,(H,28,29);1H.
What are the key properties of 6-[2-[3-(4-piperidin-4-yloxyphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid;hydrochloride?
6-[2-[3-(4-piperidin-4-yloxyphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid;hydrochloride has a molecular weight of 457.91 g/mol, XLogP of 3.80, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[3-(4-piperidin-4-yloxyphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 24801051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).