N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methoxy-1H-indole-2-carboxamide

C16H17N3O3 — CID 91775860

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methoxy-1H-indole-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)NCc3c(C)noc3C)cc2c1
InChIInChI=1S/C16H17N3O3/c1-9-13(10(2)22-19-9)8-17-16(20)15-7-11-6-12(21-3)4-5-14(11)18-15/h4-7,18H,8H2,1-3H3,(H,17,20)
InChIKeyFYPULBXPUJPHAX-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.71
Rot. Bonds4

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methoxy-1H-indole-2-carboxamide

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methoxy-1H-indole-2-carboxamide (PubChem CID 91775860) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methoxy-1H-indole-2-carboxamide
PubChem CID91775860
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methoxy-1H-indole-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)NCc3c(C)noc3C)cc2c1
InChIInChI=1S/C16H17N3O3/c1-9-13(10(2)22-19-9)8-17-16(20)15-7-11-6-12(21-3)4-5-14(11)18-15/h4-7,18H,8H2,1-3H3,(H,17,20)
InChIKeyFYPULBXPUJPHAX-UHFFFAOYSA-N
XLogP2.71
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methoxy-1H-indole-2-carboxamide?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methoxy-1H-indole-2-carboxamide (CID 91775860) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methoxy-1H-indole-2-carboxamide is COc1ccc2[nH]c(C(=O)NCc3c(C)noc3C)cc2c1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methoxy-1H-indole-2-carboxamide?
The InChIKey is FYPULBXPUJPHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-9-13(10(2)22-19-9)8-17-16(20)15-7-11-6-12(21-3)4-5-14(11)18-15/h4-7,18H,8H2,1-3H3,(H,17,20).
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methoxy-1H-indole-2-carboxamide?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methoxy-1H-indole-2-carboxamide has a molecular weight of 299.33 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 91775860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).