N-[3-chloro-4-[6-[2-(5-methyl-1,2-oxazol-4-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide

C21H20ClN3O3 — CID 167660573

IUPACN-[3-chloro-4-[6-[2-(5-methyl-1,2-oxazol-4-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide
SMILESCCC(=O)N(C)c1ccc(-c2ccc(C(=O)Cc3cnoc3C)nc2)c(Cl)c1
InChIInChI=1S/C21H20ClN3O3/c1-4-21(27)25(3)16-6-7-17(18(22)10-16)14-5-8-19(23-11-14)20(26)9-15-12-24-28-13(15)2/h5-8,10-12H,4,9H2,1-3H3
InChIKeyCXEHIEKWIFVSGC-UHFFFAOYSA-N
MW397.86 g/mol
LogP4.50
Rot. Bonds6

About N-[3-chloro-4-[6-[2-(5-methyl-1,2-oxazol-4-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide

N-[3-chloro-4-[6-[2-(5-methyl-1,2-oxazol-4-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide (PubChem CID 167660573) has the molecular formula C21H20ClN3O3 and a molecular weight of 397.86 g/mol. Its IUPAC name is N-[3-chloro-4-[6-[2-(5-methyl-1,2-oxazol-4-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[3-chloro-4-[6-[2-(5-methyl-1,2-oxazol-4-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide
PubChem CID167660573
Molecular FormulaC21H20ClN3O3
Molecular Weight397.86 g/mol
Exact Mass397.12
IUPAC NameN-[3-chloro-4-[6-[2-(5-methyl-1,2-oxazol-4-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide
SMILESCCC(=O)N(C)c1ccc(-c2ccc(C(=O)Cc3cnoc3C)nc2)c(Cl)c1
InChIInChI=1S/C21H20ClN3O3/c1-4-21(27)25(3)16-6-7-17(18(22)10-16)14-5-8-19(23-11-14)20(26)9-15-12-24-28-13(15)2/h5-8,10-12H,4,9H2,1-3H3
InChIKeyCXEHIEKWIFVSGC-UHFFFAOYSA-N
XLogP4.50
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.86
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-Chloro-phenyl)-isoxazole-3-carboxylic acid (pyridin-2-ylmethyl)-amide
CID 1093875
[5-(5-Chloro-2-pyridinyl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone
CID 146220554
3-(2-chloro-6-fluorophenyl)-N,5-dimethyl-N-[2-(2-pyridinyl)ethyl]-4-isoxazolecarboxamide
CID 2814678
3-(2-Chlorophenyl)-5-(4-pyrrol-1-ylphenyl)-1,2-oxazole
CID 127038690
3-[3-(2-Chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-oxo-2-pyridin-2-ylpropanenitrile
CID 4791984
3-(2-chlorophenyl)-6-[(5-ethyl-3-isoxazolyl)carbonyl]-1-(4-pyridinylmethyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-2(1H)-one
CID 26141715
N-(4-tert-butylphenyl)-5-(2-chloro-3-pyridinyl)-4-fluoro-1,2-oxazole-3-carboxamide
CID 178138546
5-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 1093859
(3-Benzylazetidin-1-yl)-[5-(5-chloro-2-pyridinyl)-1,2-oxazol-3-yl]methanone
CID 146229711
[4-[(2-Chloro-6-fluorophenyl)methyl]piperazin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 45908957
2-(2-chloro-6-fluorophenyl)-N-methyl-N-{[3-(4-pyridinyl)-5-isoxazolyl]methyl}acetamide
CID 70729595
4-chloro-2-fluoro-N-methyl-N-{[3-(3-pyridinyl)-5-isoxazolyl]methyl}benzamide
CID 70756021

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[6-[2-(5-methyl-1,2-oxazol-4-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide?
The IUPAC name of N-[3-chloro-4-[6-[2-(5-methyl-1,2-oxazol-4-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide (CID 167660573) is N-[3-chloro-4-[6-[2-(5-methyl-1,2-oxazol-4-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide.
What is the SMILES notation for N-[3-chloro-4-[6-[2-(5-methyl-1,2-oxazol-4-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide?
The canonical SMILES for N-[3-chloro-4-[6-[2-(5-methyl-1,2-oxazol-4-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide is CCC(=O)N(C)c1ccc(-c2ccc(C(=O)Cc3cnoc3C)nc2)c(Cl)c1.
What is the InChIKey of N-[3-chloro-4-[6-[2-(5-methyl-1,2-oxazol-4-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide?
The InChIKey is CXEHIEKWIFVSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O3/c1-4-21(27)25(3)16-6-7-17(18(22)10-16)14-5-8-19(23-11-14)20(26)9-15-12-24-28-13(15)2/h5-8,10-12H,4,9H2,1-3H3.
What are the key properties of N-[3-chloro-4-[6-[2-(5-methyl-1,2-oxazol-4-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide?
N-[3-chloro-4-[6-[2-(5-methyl-1,2-oxazol-4-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide has a molecular weight of 397.86 g/mol, XLogP of 4.50, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[6-[2-(5-methyl-1,2-oxazol-4-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide is sourced from PubChem (CID 167660573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).