N-[(R)-(4-chlorophenyl)-pyridin-3-ylmethyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide

C18H16ClN3O2 — CID 95234142

IUPACN-[(R)-(4-chlorophenyl)-pyridin-3-ylmethyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)[C@H](c2ccc(Cl)cc2)c2cccnc2)no1
InChIInChI=1S/C18H16ClN3O2/c1-12-10-16(21-24-12)18(23)22(2)17(14-4-3-9-20-11-14)13-5-7-15(19)8-6-13/h3-11,17H,1-2H3/t17-/m1/s1
InChIKeyZLXOKHHNTPHFJF-QGZVFWFLSA-N
MW341.80 g/mol
LogP3.89
Rot. Bonds4

About N-[(R)-(4-chlorophenyl)-pyridin-3-ylmethyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide

N-[(R)-(4-chlorophenyl)-pyridin-3-ylmethyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide (PubChem CID 95234142) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is N-[(R)-(4-chlorophenyl)-pyridin-3-ylmethyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(R)-(4-chlorophenyl)-pyridin-3-ylmethyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
PubChem CID95234142
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC NameN-[(R)-(4-chlorophenyl)-pyridin-3-ylmethyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)[C@H](c2ccc(Cl)cc2)c2cccnc2)no1
InChIInChI=1S/C18H16ClN3O2/c1-12-10-16(21-24-12)18(23)22(2)17(14-4-3-9-20-11-14)13-5-7-15(19)8-6-13/h3-11,17H,1-2H3/t17-/m1/s1
InChIKeyZLXOKHHNTPHFJF-QGZVFWFLSA-N
XLogP3.89
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,5R)-N-[(R)-(4-chlorophenyl)-pyridin-3-ylmethyl]-N-methylbicyclo[3.1.0]hexane-6-carboxamide
CID 100900534
N-[(R)-(4-chlorophenyl)-pyridin-3-ylmethyl]-2-imidazol-1-yl-N-methylacetamide
CID 95908382
N-[(S)-(4-chlorophenyl)-pyridin-4-ylmethyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide
CID 96527928
5-chloro-2-fluoro-N-methyl-N-(1-pyridin-3-ylethyl)benzamide
CID 77080919
1-[(R)-(4-chlorophenyl)-pyridin-3-ylmethyl]-1-methyl-3-[2-(2,2,2-trifluoroethoxy)phenyl]urea
CID 95765356
1-(5-methyl-1,2-oxazol-3-yl)-3-[(1S)-1-pyridin-3-ylethyl]urea
CID 94017430
N-(1-cyanoethyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 66158121
2-(4-chlorophenyl)-N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]acetamide
CID 20897057
5-chloro-N-methyl-N-(1-pyridin-3-ylethyl)furan-2-carboxamide
CID 86858321
2-hydroxy-N,N-dimethyl-2-pyridin-3-ylacetamide
CID 83529938
N-methyl-5-[(2-methylsulfanylphenoxy)methyl]-N-[(1R)-1-pyridin-3-ylethyl]-1,2-oxazole-3-carboxamide
CID 95221527
[3-(4-chlorophenyl)-5-(4-methylphenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
CID 59675031

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(4-chlorophenyl)-pyridin-3-ylmethyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(R)-(4-chlorophenyl)-pyridin-3-ylmethyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide (CID 95234142) is N-[(R)-(4-chlorophenyl)-pyridin-3-ylmethyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(R)-(4-chlorophenyl)-pyridin-3-ylmethyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(R)-(4-chlorophenyl)-pyridin-3-ylmethyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)N(C)[C@H](c2ccc(Cl)cc2)c2cccnc2)no1.
What is the InChIKey of N-[(R)-(4-chlorophenyl)-pyridin-3-ylmethyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide?
The InChIKey is ZLXOKHHNTPHFJF-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-12-10-16(21-24-12)18(23)22(2)17(14-4-3-9-20-11-14)13-5-7-15(19)8-6-13/h3-11,17H,1-2H3/t17-/m1/s1.
What are the key properties of N-[(R)-(4-chlorophenyl)-pyridin-3-ylmethyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide?
N-[(R)-(4-chlorophenyl)-pyridin-3-ylmethyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide has a molecular weight of 341.80 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(4-chlorophenyl)-pyridin-3-ylmethyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 95234142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).