4-(4-fluoro-2-methoxyphenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-oxazole-5-carboxamide

C19H13FN4O3S — CID 176858624

IUPAC4-(4-fluoro-2-methoxyphenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-oxazole-5-carboxamide
SMILESCOc1cc(F)ccc1-c1ncoc1C(=O)Nc1nc(-c2ccccn2)cs1
InChIInChI=1S/C19H13FN4O3S/c1-26-15-8-11(20)5-6-12(15)16-17(27-10-22-16)18(25)24-19-23-14(9-28-19)13-4-2-3-7-21-13/h2-10H,1H3,(H,23,24,25)
InChIKeyXDLRWBCXCRBOGJ-UHFFFAOYSA-N
MW396.40 g/mol
LogP4.26
Rot. Bonds5

About 4-(4-fluoro-2-methoxyphenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-oxazole-5-carboxamide

4-(4-fluoro-2-methoxyphenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-oxazole-5-carboxamide (PubChem CID 176858624) has the molecular formula C19H13FN4O3S and a molecular weight of 396.40 g/mol. Its IUPAC name is 4-(4-fluoro-2-methoxyphenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name4-(4-fluoro-2-methoxyphenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-oxazole-5-carboxamide
PubChem CID176858624
Molecular FormulaC19H13FN4O3S
Molecular Weight396.40 g/mol
Exact Mass396.07
IUPAC Name4-(4-fluoro-2-methoxyphenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-oxazole-5-carboxamide
SMILESCOc1cc(F)ccc1-c1ncoc1C(=O)Nc1nc(-c2ccccn2)cs1
InChIInChI=1S/C19H13FN4O3S/c1-26-15-8-11(20)5-6-12(15)16-17(27-10-22-16)18(25)24-19-23-14(9-28-19)13-4-2-3-7-21-13/h2-10H,1H3,(H,23,24,25)
InChIKeyXDLRWBCXCRBOGJ-UHFFFAOYSA-N
XLogP4.26
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(4-fluorophenyl)-2-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-oxazole-5-carboxamide
CID 176859167
4-methoxy-1-methyl-6-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 91813993
4-(3-fluorophenyl)-N-[4-(3-methyl-2-pyridinyl)-1,3-thiazol-2-yl]-1,3-oxazole-5-carboxamide
CID 176858699
N-[4-(4-cyano-2-pyridinyl)-1,3-thiazol-2-yl]-4-(4-fluorophenyl)-1,3-oxazole-5-carboxamide
CID 176859861
4-methoxy-3-nitro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 8924132
N-[4-(2-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 17404608
2,6-difluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 73348030
N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 3498985
3-(3-fluorophenyl)-5-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
CID 176858449
2-(4-fluorophenyl)-4-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 41164251
4-(4-methoxyphenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thiadiazole-5-carboxamide
CID 52900445
4-bromo-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
CID 26704499

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-2-methoxyphenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-oxazole-5-carboxamide?
The IUPAC name of 4-(4-fluoro-2-methoxyphenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-oxazole-5-carboxamide (CID 176858624) is 4-(4-fluoro-2-methoxyphenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 4-(4-fluoro-2-methoxyphenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for 4-(4-fluoro-2-methoxyphenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-oxazole-5-carboxamide is COc1cc(F)ccc1-c1ncoc1C(=O)Nc1nc(-c2ccccn2)cs1.
What is the InChIKey of 4-(4-fluoro-2-methoxyphenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-oxazole-5-carboxamide?
The InChIKey is XDLRWBCXCRBOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN4O3S/c1-26-15-8-11(20)5-6-12(15)16-17(27-10-22-16)18(25)24-19-23-14(9-28-19)13-4-2-3-7-21-13/h2-10H,1H3,(H,23,24,25).
What are the key properties of 4-(4-fluoro-2-methoxyphenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-oxazole-5-carboxamide?
4-(4-fluoro-2-methoxyphenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-oxazole-5-carboxamide has a molecular weight of 396.40 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-2-methoxyphenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 176858624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).