N-[7-(3,4-dihydropyridin-5-yl)-4-methoxy-3H-indol-2-yl]-2-methyl-1,3-oxazole-5-carboxamide

C19H18N4O3 — CID 160725666

IUPACN-[7-(3,4-dihydropyridin-5-yl)-4-methoxy-3H-indol-2-yl]-2-methyl-1,3-oxazole-5-carboxamide
SMILESCOc1ccc(C2=CN=CCC2)c2c1CC(NC(=O)c1cnc(C)o1)=N2
InChIInChI=1S/C19H18N4O3/c1-11-21-10-16(26-11)19(24)23-17-8-14-15(25-2)6-5-13(18(14)22-17)12-4-3-7-20-9-12/h5-7,9-10H,3-4,8H2,1-2H3,(H,22,23,24)
InChIKeyRTRFRIIWEXHBGT-UHFFFAOYSA-N
MW350.38 g/mol
LogP3.21
Rot. Bonds3

About N-[7-(3,4-dihydropyridin-5-yl)-4-methoxy-3H-indol-2-yl]-2-methyl-1,3-oxazole-5-carboxamide

N-[7-(3,4-dihydropyridin-5-yl)-4-methoxy-3H-indol-2-yl]-2-methyl-1,3-oxazole-5-carboxamide (PubChem CID 160725666) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is N-[7-(3,4-dihydropyridin-5-yl)-4-methoxy-3H-indol-2-yl]-2-methyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[7-(3,4-dihydropyridin-5-yl)-4-methoxy-3H-indol-2-yl]-2-methyl-1,3-oxazole-5-carboxamide
PubChem CID160725666
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC NameN-[7-(3,4-dihydropyridin-5-yl)-4-methoxy-3H-indol-2-yl]-2-methyl-1,3-oxazole-5-carboxamide
SMILESCOc1ccc(C2=CN=CCC2)c2c1CC(NC(=O)c1cnc(C)o1)=N2
InChIInChI=1S/C19H18N4O3/c1-11-21-10-16(26-11)19(24)23-17-8-14-15(25-2)6-5-13(18(14)22-17)12-4-3-7-20-9-12/h5-7,9-10H,3-4,8H2,1-2H3,(H,22,23,24)
InChIKeyRTRFRIIWEXHBGT-UHFFFAOYSA-N
XLogP3.21
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dimethoxyphenyl)-2-methyl-1,3-oxazole-5-carboxamide
CID 110702289
6-bromo-N-(4-methoxy-7-phenyl-3H-indol-2-yl)pyridine-3-carboxamide
CID 147914533
N-[7-(2-fluorocyclohexa-1,3-dien-1-yl)-4-methoxy-3H-indol-2-yl]-1-methylpyrazole-4-carboxamide
CID 158058342
N-(4-methoxy-7-phenyl-3H-indol-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
CID 147014443
N-(4-methoxy-7-pyridin-3-yl-3H-indol-2-yl)cyclopropanecarboxamide
CID 158644717
N-[4-methoxy-7-(1-methylpyrazol-4-yl)-3H-indol-2-yl]-4-(pyrrol-1-ylmethyl)benzamide
CID 159978643
1-N-[7-(2,6-dimethoxy-3-pyridinyl)-4-methoxy-3H-indol-2-yl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide
CID 149019221
N-(4-methoxy-7-pyridin-4-yl-3H-indol-2-yl)-2-oxa-7-azaspiro[3.4]octane-7-carboxamide
CID 159878969
N-[7-(2,6-dimethoxy-3-pyridinyl)-4-methoxy-3H-indol-2-yl]cyclopropanecarboxamide
CID 157498367
1-(2-methoxyethyl)-N-[4-methoxy-7-(3-methyl-2H-indazol-5-yl)-3H-indol-2-yl]pyrazole-4-carboxamide
CID 158013193
2-methyl-N-(4-propan-2-ylphenyl)-1,3-oxazole-5-carboxamide
CID 110702258
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methyl-1,3-oxazole-5-carboxamide
CID 110702338

Frequently Asked Questions

What is the IUPAC name of N-[7-(3,4-dihydropyridin-5-yl)-4-methoxy-3H-indol-2-yl]-2-methyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[7-(3,4-dihydropyridin-5-yl)-4-methoxy-3H-indol-2-yl]-2-methyl-1,3-oxazole-5-carboxamide (CID 160725666) is N-[7-(3,4-dihydropyridin-5-yl)-4-methoxy-3H-indol-2-yl]-2-methyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[7-(3,4-dihydropyridin-5-yl)-4-methoxy-3H-indol-2-yl]-2-methyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[7-(3,4-dihydropyridin-5-yl)-4-methoxy-3H-indol-2-yl]-2-methyl-1,3-oxazole-5-carboxamide is COc1ccc(C2=CN=CCC2)c2c1CC(NC(=O)c1cnc(C)o1)=N2.
What is the InChIKey of N-[7-(3,4-dihydropyridin-5-yl)-4-methoxy-3H-indol-2-yl]-2-methyl-1,3-oxazole-5-carboxamide?
The InChIKey is RTRFRIIWEXHBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-11-21-10-16(26-11)19(24)23-17-8-14-15(25-2)6-5-13(18(14)22-17)12-4-3-7-20-9-12/h5-7,9-10H,3-4,8H2,1-2H3,(H,22,23,24).
What are the key properties of N-[7-(3,4-dihydropyridin-5-yl)-4-methoxy-3H-indol-2-yl]-2-methyl-1,3-oxazole-5-carboxamide?
N-[7-(3,4-dihydropyridin-5-yl)-4-methoxy-3H-indol-2-yl]-2-methyl-1,3-oxazole-5-carboxamide has a molecular weight of 350.38 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(3,4-dihydropyridin-5-yl)-4-methoxy-3H-indol-2-yl]-2-methyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 160725666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).