5-chloro-N-[2-fluoro-5-[5-(1,3-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methoxypyridine-3-carboxamide

C18H11ClFN5O4 — CID 135347019

IUPAC5-chloro-N-[2-fluoro-5-[5-(1,3-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncc(Cl)cc1C(=O)Nc1cc(-c2nnc(-c3cnco3)o2)ccc1F
InChIInChI=1S/C18H11ClFN5O4/c1-27-17-11(5-10(19)6-22-17)15(26)23-13-4-9(2-3-12(13)20)16-24-25-18(29-16)14-7-21-8-28-14/h2-8H,1H3,(H,23,26)
InChIKeyMFCAHYHABDUSMF-UHFFFAOYSA-N
MW415.77 g/mol
LogP3.84
Rot. Bonds5

About 5-chloro-N-[2-fluoro-5-[5-(1,3-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methoxypyridine-3-carboxamide

5-chloro-N-[2-fluoro-5-[5-(1,3-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methoxypyridine-3-carboxamide (PubChem CID 135347019) has the molecular formula C18H11ClFN5O4 and a molecular weight of 415.77 g/mol. Its IUPAC name is 5-chloro-N-[2-fluoro-5-[5-(1,3-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-fluoro-5-[5-(1,3-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methoxypyridine-3-carboxamide
PubChem CID135347019
Molecular FormulaC18H11ClFN5O4
Molecular Weight415.77 g/mol
Exact Mass415.05
IUPAC Name5-chloro-N-[2-fluoro-5-[5-(1,3-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncc(Cl)cc1C(=O)Nc1cc(-c2nnc(-c3cnco3)o2)ccc1F
InChIInChI=1S/C18H11ClFN5O4/c1-27-17-11(5-10(19)6-22-17)15(26)23-13-4-9(2-3-12(13)20)16-24-25-18(29-16)14-7-21-8-28-14/h2-8H,1H3,(H,23,26)
InChIKeyMFCAHYHABDUSMF-UHFFFAOYSA-N
XLogP3.84
TPSA116.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.77
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-chloro-N-[2-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methoxypyridine-3-carboxamide
CID 142440146
N-[2-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-4-methoxypyridine-3-carboxamide
CID 142440003
5-chloro-2-ethoxy-N-[2-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
CID 135347176
5-chloro-2-(2,2-difluoroethoxy)-N-[2-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
CID 135347254
methyl 5-[4-fluoro-3-[(2-fluorobenzoyl)amino]phenyl]-1,3,4-oxadiazole-2-carboxylate
CID 142440216
2-ethoxy-5-ethyl-N-[2-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
CID 135347303
4-chloro-2-fluoro-N-[2-methoxy-5-[[4-(1,3-oxazol-5-yl)benzoyl]amino]phenyl]benzamide
CID 55889947
2-(difluoromethoxy)-N-[2-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methylbenzamide
CID 146494232
2-(difluoromethoxy)-5-fluoro-N-[2-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
CID 142440388
5-chloro-N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-2-methoxybenzamide
CID 142440199
N-[4-(5-chloro-2-methoxy-3-pyridinyl)phenyl]-2,6-difluorobenzamide;hydrochloride
CID 73052207
5-chloro-2-methoxy-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43977382

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-fluoro-5-[5-(1,3-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methoxypyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-[2-fluoro-5-[5-(1,3-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methoxypyridine-3-carboxamide (CID 135347019) is 5-chloro-N-[2-fluoro-5-[5-(1,3-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-fluoro-5-[5-(1,3-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methoxypyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-[2-fluoro-5-[5-(1,3-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methoxypyridine-3-carboxamide is COc1ncc(Cl)cc1C(=O)Nc1cc(-c2nnc(-c3cnco3)o2)ccc1F.
What is the InChIKey of 5-chloro-N-[2-fluoro-5-[5-(1,3-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methoxypyridine-3-carboxamide?
The InChIKey is MFCAHYHABDUSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClFN5O4/c1-27-17-11(5-10(19)6-22-17)15(26)23-13-4-9(2-3-12(13)20)16-24-25-18(29-16)14-7-21-8-28-14/h2-8H,1H3,(H,23,26).
What are the key properties of 5-chloro-N-[2-fluoro-5-[5-(1,3-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methoxypyridine-3-carboxamide?
5-chloro-N-[2-fluoro-5-[5-(1,3-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methoxypyridine-3-carboxamide has a molecular weight of 415.77 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-fluoro-5-[5-(1,3-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 135347019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).