N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide

C16H19N3O3 — CID 72917650

IUPACN-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCc1nc(CCN(C)C(=O)C2COc3ccccc3C2)no1
InChIInChI=1S/C16H19N3O3/c1-11-17-15(18-22-11)7-8-19(2)16(20)13-9-12-5-3-4-6-14(12)21-10-13/h3-6,13H,7-10H2,1-2H3
InChIKeyMYGLIQCQLFLHKM-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.63
Rot. Bonds4

About N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide

N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 72917650) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID72917650
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCc1nc(CCN(C)C(=O)C2COc3ccccc3C2)no1
InChIInChI=1S/C16H19N3O3/c1-11-17-15(18-22-11)7-8-19(2)16(20)13-9-12-5-3-4-6-14(12)21-10-13/h3-6,13H,7-10H2,1-2H3
InChIKeyMYGLIQCQLFLHKM-UHFFFAOYSA-N
XLogP1.63
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 72917650) is N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide is Cc1nc(CCN(C)C(=O)C2COc3ccccc3C2)no1.
What is the InChIKey of N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is MYGLIQCQLFLHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-11-17-15(18-22-11)7-8-19(2)16(20)13-9-12-5-3-4-6-14(12)21-10-13/h3-6,13H,7-10H2,1-2H3.
What are the key properties of N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide?
N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 72917650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).