2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide

C20H21N3O3S — CID 47044077

IUPAC2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
SMILESCc1cc(CSc2ncccc2C(=O)Nc2ccc(OC(C)C)cc2)no1
InChIInChI=1S/C20H21N3O3S/c1-13(2)25-17-8-6-15(7-9-17)22-19(24)18-5-4-10-21-20(18)27-12-16-11-14(3)26-23-16/h4-11,13H,12H2,1-3H3,(H,22,24)
InChIKeyPDJVFFCMKAXBAC-UHFFFAOYSA-N
MW383.47 g/mol
LogP4.71
Rot. Bonds7

About 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide

2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide (PubChem CID 47044077) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
PubChem CID47044077
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Name2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
SMILESCc1cc(CSc2ncccc2C(=O)Nc2ccc(OC(C)C)cc2)no1
InChIInChI=1S/C20H21N3O3S/c1-13(2)25-17-8-6-15(7-9-17)22-19(24)18-5-4-10-21-20(18)27-12-16-11-14(3)26-23-16/h4-11,13H,12H2,1-3H3,(H,22,24)
InChIKeyPDJVFFCMKAXBAC-UHFFFAOYSA-N
XLogP4.71
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[4-(propan-2-ylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 55887538
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[2-(4-propan-2-yloxyphenyl)ethyl]pyridine-3-carboxamide
CID 33158106
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[4-(phenylcarbamoylamino)phenyl]pyridine-3-carboxamide
CID 38477184
N-(4-acetylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
CID 27666255
N-(3,5-dimethoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
CID 27667349
N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
CID 36545059
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[3-(phenylcarbamoylamino)phenyl]pyridine-3-carboxamide
CID 46552851
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-(4-morpholin-4-ylphenyl)pyridine-3-carboxamide
CID 9463227
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]pyridine-3-carboxamide
CID 55439339
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-(4-methyl-2-pyridinyl)pyridine-3-carboxamide
CID 35345100
ethyl 3-[[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carbonyl]amino]benzoate
CID 34068599
N-(4-carbamoyl-3-chlorophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
CID 39170362

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide (CID 47044077) is 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide is Cc1cc(CSc2ncccc2C(=O)Nc2ccc(OC(C)C)cc2)no1.
What is the InChIKey of 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide?
The InChIKey is PDJVFFCMKAXBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-13(2)25-17-8-6-15(7-9-17)22-19(24)18-5-4-10-21-20(18)27-12-16-11-14(3)26-23-16/h4-11,13H,12H2,1-3H3,(H,22,24).
What are the key properties of 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide?
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide has a molecular weight of 383.47 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 47044077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).