N-(6-methoxy-2-propan-2-ylindazol-5-yl)-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide

C21H21N5O3 — CID 176724064

IUPACN-(6-methoxy-2-propan-2-ylindazol-5-yl)-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
SMILESCOc1cc2nn(C(C)C)cc2cc1NC(=O)c1coc(-c2ccnc(C)c2)n1
InChIInChI=1S/C21H21N5O3/c1-12(2)26-10-15-8-17(19(28-4)9-16(15)25-26)23-20(27)18-11-29-21(24-18)14-5-6-22-13(3)7-14/h5-12H,1-4H3,(H,23,27)
InChIKeyGBNGSKKCKBEBPP-UHFFFAOYSA-N
MW391.43 g/mol
LogP4.24
Rot. Bonds5

About N-(6-methoxy-2-propan-2-ylindazol-5-yl)-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide

N-(6-methoxy-2-propan-2-ylindazol-5-yl)-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide (PubChem CID 176724064) has the molecular formula C21H21N5O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is N-(6-methoxy-2-propan-2-ylindazol-5-yl)-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(6-methoxy-2-propan-2-ylindazol-5-yl)-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
PubChem CID176724064
Molecular FormulaC21H21N5O3
Molecular Weight391.43 g/mol
Exact Mass391.16
IUPAC NameN-(6-methoxy-2-propan-2-ylindazol-5-yl)-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
SMILESCOc1cc2nn(C(C)C)cc2cc1NC(=O)c1coc(-c2ccnc(C)c2)n1
InChIInChI=1S/C21H21N5O3/c1-12(2)26-10-15-8-17(19(28-4)9-16(15)25-26)23-20(27)18-11-29-21(24-18)14-5-6-22-13(3)7-14/h5-12H,1-4H3,(H,23,27)
InChIKeyGBNGSKKCKBEBPP-UHFFFAOYSA-N
XLogP4.24
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[6-methoxy-2-(4-methylcyclohexyl)indazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 170240031
N-[6-(cyclohexylamino)-2-methylindazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 144883766
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-dichlorophenyl)-1,3-oxazole-4-carboxamide
CID 84552905
tert-butyl 4-[6-methoxy-5-[(2-pyridin-4-yl-1,3-oxazole-4-carbonyl)amino]indazol-2-yl]piperidine-1-carboxylate
CID 174334228
N-[3-(difluoromethyl)-1-(4-formylcyclohexyl)pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 146599170
2-(2-methoxy-4-pyridinyl)-N-(2-methyl-6-piperidin-1-ylindazol-5-yl)-1,3-oxazole-4-carboxamide
CID 118226401
N-[1-cyclohexyl-3-(methylcarbamoyl)pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;ethane
CID 158415687
N-[3-carbamoyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;ethane
CID 161237860
N-[6-(4-hydroxypiperidin-1-yl)-1-(2-methoxyethyl)indazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 118226751
2-(2-methyl-4-pyridinyl)-N-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide;2,2,2-trifluoroacetic acid
CID 154998218
N-[6-(4-hydroxypiperidin-1-yl)-1-(3-methoxypropyl)indazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride
CID 162329642
N-[2-(2-hydroxypropan-2-yl)-7-phenylimidazo[1,2-a]pyrimidin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 170361566

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-2-propan-2-ylindazol-5-yl)-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(6-methoxy-2-propan-2-ylindazol-5-yl)-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide (CID 176724064) is N-(6-methoxy-2-propan-2-ylindazol-5-yl)-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(6-methoxy-2-propan-2-ylindazol-5-yl)-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(6-methoxy-2-propan-2-ylindazol-5-yl)-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide is COc1cc2nn(C(C)C)cc2cc1NC(=O)c1coc(-c2ccnc(C)c2)n1.
What is the InChIKey of N-(6-methoxy-2-propan-2-ylindazol-5-yl)-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide?
The InChIKey is GBNGSKKCKBEBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3/c1-12(2)26-10-15-8-17(19(28-4)9-16(15)25-26)23-20(27)18-11-29-21(24-18)14-5-6-22-13(3)7-14/h5-12H,1-4H3,(H,23,27).
What are the key properties of N-(6-methoxy-2-propan-2-ylindazol-5-yl)-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide?
N-(6-methoxy-2-propan-2-ylindazol-5-yl)-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide has a molecular weight of 391.43 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-2-propan-2-ylindazol-5-yl)-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 176724064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).