N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-[(2S)-pyrrolidin-2-yl]-1,3-oxazole-4-carboxamide

C16H16ClN5O2 — CID 167929898

IUPACN-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-[(2S)-pyrrolidin-2-yl]-1,3-oxazole-4-carboxamide
SMILESO=C(NCc1cn2cc(Cl)ccc2n1)c1coc([C@@H]2CCCN2)n1
InChIInChI=1S/C16H16ClN5O2/c17-10-3-4-14-20-11(8-22(14)7-10)6-19-15(23)13-9-24-16(21-13)12-2-1-5-18-12/h3-4,7-9,12,18H,1-2,5-6H2,(H,19,23)/t12-/m0/s1
InChIKeyQYQRICSYQRJBFE-LBPRGKRZSA-N
MW345.79 g/mol
LogP2.33
Rot. Bonds4

About N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-[(2S)-pyrrolidin-2-yl]-1,3-oxazole-4-carboxamide

N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-[(2S)-pyrrolidin-2-yl]-1,3-oxazole-4-carboxamide (PubChem CID 167929898) has the molecular formula C16H16ClN5O2 and a molecular weight of 345.79 g/mol. Its IUPAC name is N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-[(2S)-pyrrolidin-2-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-[(2S)-pyrrolidin-2-yl]-1,3-oxazole-4-carboxamide
PubChem CID167929898
Molecular FormulaC16H16ClN5O2
Molecular Weight345.79 g/mol
Exact Mass345.10
IUPAC NameN-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-[(2S)-pyrrolidin-2-yl]-1,3-oxazole-4-carboxamide
SMILESO=C(NCc1cn2cc(Cl)ccc2n1)c1coc([C@@H]2CCCN2)n1
InChIInChI=1S/C16H16ClN5O2/c17-10-3-4-14-20-11(8-22(14)7-10)6-19-15(23)13-9-24-16(21-13)12-2-1-5-18-12/h3-4,7-9,12,18H,1-2,5-6H2,(H,19,23)/t12-/m0/s1
InChIKeyQYQRICSYQRJBFE-LBPRGKRZSA-N
XLogP2.33
TPSA84.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methylbutyl)-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide
CID 3439628
N-octadecyl-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide
CID 4994793
N-heptyl-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide
CID 3433625
N-(3-methoxypropyl)-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide
CID 3665787
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide
CID 3674031
N-(4-phenylbutyl)-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide
CID 3771092
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]cyclohexanamine
CID 78912632
1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-(1-cyclopropylethyl)urea
CID 47221365
5-chloro-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-fluorobenzamide
CID 86917632
N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5-pyrrolidin-2-ylthiophene-2-carboxamide
CID 45206060
N-[(1-methylpyrazol-3-yl)methyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102742485
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-(piperidin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 166270307

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-[(2S)-pyrrolidin-2-yl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-[(2S)-pyrrolidin-2-yl]-1,3-oxazole-4-carboxamide (CID 167929898) is N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-[(2S)-pyrrolidin-2-yl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-[(2S)-pyrrolidin-2-yl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-[(2S)-pyrrolidin-2-yl]-1,3-oxazole-4-carboxamide is O=C(NCc1cn2cc(Cl)ccc2n1)c1coc([C@@H]2CCCN2)n1.
What is the InChIKey of N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-[(2S)-pyrrolidin-2-yl]-1,3-oxazole-4-carboxamide?
The InChIKey is QYQRICSYQRJBFE-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H16ClN5O2/c17-10-3-4-14-20-11(8-22(14)7-10)6-19-15(23)13-9-24-16(21-13)12-2-1-5-18-12/h3-4,7-9,12,18H,1-2,5-6H2,(H,19,23)/t12-/m0/s1.
What are the key properties of N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-[(2S)-pyrrolidin-2-yl]-1,3-oxazole-4-carboxamide?
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-[(2S)-pyrrolidin-2-yl]-1,3-oxazole-4-carboxamide has a molecular weight of 345.79 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-[(2S)-pyrrolidin-2-yl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 167929898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).