2-methyl-N-[[5-methyl-2-[3-[(2-methylfuran-3-carbonyl)amino]phenyl]-1,3-oxazol-4-yl]methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide

C26H27N5O4 — CID 42398179

IUPAC2-methyl-N-[[5-methyl-2-[3-[(2-methylfuran-3-carbonyl)amino]phenyl]-1,3-oxazol-4-yl]methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCc1occc1C(=O)Nc1cccc(-c2nc(CNC(=O)c3c4c(nn3C)CCCC4)c(C)o2)c1
InChIInChI=1S/C26H27N5O4/c1-15-19(11-12-34-15)24(32)28-18-8-6-7-17(13-18)26-29-22(16(2)35-26)14-27-25(33)23-20-9-4-5-10-21(20)30-31(23)3/h6-8,11-13H,4-5,9-10,14H2,1-3H3,(H,27,33)(H,28,32)
InChIKeyADIBAWZVJXNBCS-UHFFFAOYSA-N
MW473.53 g/mol
LogP4.35
Rot. Bonds6

About 2-methyl-N-[[5-methyl-2-[3-[(2-methylfuran-3-carbonyl)amino]phenyl]-1,3-oxazol-4-yl]methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide

2-methyl-N-[[5-methyl-2-[3-[(2-methylfuran-3-carbonyl)amino]phenyl]-1,3-oxazol-4-yl]methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 42398179) has the molecular formula C26H27N5O4 and a molecular weight of 473.53 g/mol. Its IUPAC name is 2-methyl-N-[[5-methyl-2-[3-[(2-methylfuran-3-carbonyl)amino]phenyl]-1,3-oxazol-4-yl]methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[[5-methyl-2-[3-[(2-methylfuran-3-carbonyl)amino]phenyl]-1,3-oxazol-4-yl]methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID42398179
Molecular FormulaC26H27N5O4
Molecular Weight473.53 g/mol
Exact Mass473.21
IUPAC Name2-methyl-N-[[5-methyl-2-[3-[(2-methylfuran-3-carbonyl)amino]phenyl]-1,3-oxazol-4-yl]methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCc1occc1C(=O)Nc1cccc(-c2nc(CNC(=O)c3c4c(nn3C)CCCC4)c(C)o2)c1
InChIInChI=1S/C26H27N5O4/c1-15-19(11-12-34-15)24(32)28-18-8-6-7-17(13-18)26-29-22(16(2)35-26)14-27-25(33)23-20-9-4-5-10-21(20)30-31(23)3/h6-8,11-13H,4-5,9-10,14H2,1-3H3,(H,27,33)(H,28,32)
InChIKeyADIBAWZVJXNBCS-UHFFFAOYSA-N
XLogP4.35
TPSA115.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.53
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-methyl-N-[[5-methyl-2-[3-[(2-methylfuran-3-carbonyl)amino]phenyl]-1,3-oxazol-4-yl]methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide with MolForge

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Related Compounds

2-methyl-N-[3-[5-methyl-4-[[3-(2-oxopiperidin-1-yl)propanoylamino]methyl]-1,3-oxazol-2-yl]phenyl]furan-3-carboxamide
CID 118754272
2,5-dimethyl-N-[3-[5-methyl-4-[[[(2R)-2-methylbutanoyl]amino]methyl]-1,3-oxazol-2-yl]phenyl]furan-3-carboxamide
CID 42324291
2-methyl-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]furan-3-carboxamide
CID 17359293
N-[3-[4-[[(3-fluoro-4-methoxybenzoyl)amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-2,5-dimethylfuran-3-carboxamide
CID 118753949
N-[[2-[3-[(2-methoxyacetyl)amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-4-(2-methylpropyl)benzamide
CID 42166903
1-methyl-N-[[5-methyl-2-[3-(propan-2-ylsulfonylamino)phenyl]-1,3-oxazol-4-yl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 118757011
N-[3-[4-[(1,3-benzodioxole-5-carbonylamino)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-1-methylpiperidine-3-carboxamide
CID 45214373
5-(methoxymethyl)-N-[[2-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]furan-2-carboxamide
CID 42421181
N-[3-[5-methyl-4-[[[2-(3-methylphenyl)acetyl]amino]methyl]-1,3-oxazol-2-yl]phenyl]pyridine-2-carboxamide
CID 42247588
N-(3-acetylphenyl)-2-methylfuran-3-carboxamide
CID 896770
2-methyl-N-[2-[3-(1,3,4-oxadiazol-2-yl)anilino]-2-oxoethyl]furan-3-carboxamide
CID 86823154
N-[3-[5-methyl-4-[(3-phenylprop-2-ynoylamino)methyl]-1,3-oxazol-2-yl]phenyl]pyridine-2-carboxamide
CID 42213581

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-methyl-2-[3-[(2-methylfuran-3-carbonyl)amino]phenyl]-1,3-oxazol-4-yl]methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of 2-methyl-N-[[5-methyl-2-[3-[(2-methylfuran-3-carbonyl)amino]phenyl]-1,3-oxazol-4-yl]methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 42398179) is 2-methyl-N-[[5-methyl-2-[3-[(2-methylfuran-3-carbonyl)amino]phenyl]-1,3-oxazol-4-yl]methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[[5-methyl-2-[3-[(2-methylfuran-3-carbonyl)amino]phenyl]-1,3-oxazol-4-yl]methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for 2-methyl-N-[[5-methyl-2-[3-[(2-methylfuran-3-carbonyl)amino]phenyl]-1,3-oxazol-4-yl]methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide is Cc1occc1C(=O)Nc1cccc(-c2nc(CNC(=O)c3c4c(nn3C)CCCC4)c(C)o2)c1.
What is the InChIKey of 2-methyl-N-[[5-methyl-2-[3-[(2-methylfuran-3-carbonyl)amino]phenyl]-1,3-oxazol-4-yl]methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is ADIBAWZVJXNBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O4/c1-15-19(11-12-34-15)24(32)28-18-8-6-7-17(13-18)26-29-22(16(2)35-26)14-27-25(33)23-20-9-4-5-10-21(20)30-31(23)3/h6-8,11-13H,4-5,9-10,14H2,1-3H3,(H,27,33)(H,28,32).
What are the key properties of 2-methyl-N-[[5-methyl-2-[3-[(2-methylfuran-3-carbonyl)amino]phenyl]-1,3-oxazol-4-yl]methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
2-methyl-N-[[5-methyl-2-[3-[(2-methylfuran-3-carbonyl)amino]phenyl]-1,3-oxazol-4-yl]methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 473.53 g/mol, XLogP of 4.35, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-methyl-2-[3-[(2-methylfuran-3-carbonyl)amino]phenyl]-1,3-oxazol-4-yl]methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 42398179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).