N-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide

C21H18ClN5O2S — CID 53210375

IUPACN-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
SMILESO=C(Nc1cc(-c2cccc(Cl)c2)no1)C1CCCN(c2nc3cccnc3s2)C1
InChIInChI=1S/C21H18ClN5O2S/c22-15-6-1-4-13(10-15)17-11-18(29-26-17)25-19(28)14-5-3-9-27(12-14)21-24-16-7-2-8-23-20(16)30-21/h1-2,4,6-8,10-11,14H,3,5,9,12H2,(H,25,28)
InChIKeyPOVVDZRRSMXGOJ-UHFFFAOYSA-N
MW439.93 g/mol
LogP4.85
Rot. Bonds4

About N-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide

N-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide (PubChem CID 53210375) has the molecular formula C21H18ClN5O2S and a molecular weight of 439.93 g/mol. Its IUPAC name is N-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
PubChem CID53210375
Molecular FormulaC21H18ClN5O2S
Molecular Weight439.93 g/mol
Exact Mass439.09
IUPAC NameN-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
SMILESO=C(Nc1cc(-c2cccc(Cl)c2)no1)C1CCCN(c2nc3cccnc3s2)C1
InChIInChI=1S/C21H18ClN5O2S/c22-15-6-1-4-13(10-15)17-11-18(29-26-17)25-19(28)14-5-3-9-27(12-14)21-24-16-7-2-8-23-20(16)30-21/h1-2,4,6-8,10-11,14H,3,5,9,12H2,(H,25,28)
InChIKeyPOVVDZRRSMXGOJ-UHFFFAOYSA-N
XLogP4.85
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.93
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3R)-N-(4-chloro-2-methylphenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 95117277
(3R)-N-(4-bromophenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 93068920
N-(2,3-dimethylphenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 50793221
(3S)-N-(2,3-dimethylphenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 92891762
(3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 93068908
N-(3,5-dimethoxyphenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 53007595
(3S)-N-(3-fluoro-4-methylphenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 95117314
N-[3-[(3,5-dimethylphenyl)carbamoyl]phenyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 50843523
N-[(3-fluorophenyl)methyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 53210372
[4-(4-chlorophenyl)piperazin-1-yl]-[(3R)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-3-yl]methanone
CID 93068862
(3S)-N-(2,5-diethoxyphenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 93068918
(3S)-N-[2-(4-methylpiperazin-1-yl)ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 92765070

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide?
The IUPAC name of N-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide (CID 53210375) is N-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for N-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide is O=C(Nc1cc(-c2cccc(Cl)c2)no1)C1CCCN(c2nc3cccnc3s2)C1.
What is the InChIKey of N-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide?
The InChIKey is POVVDZRRSMXGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN5O2S/c22-15-6-1-4-13(10-15)17-11-18(29-26-17)25-19(28)14-5-3-9-27(12-14)21-24-16-7-2-8-23-20(16)30-21/h1-2,4,6-8,10-11,14H,3,5,9,12H2,(H,25,28).
What are the key properties of N-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide?
N-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide has a molecular weight of 439.93 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 53210375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).