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

C16H19N3O3 — CID 72847884

IUPACN-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCCc1noc(CN(C)C(=O)C2COc3ccccc3C2)n1
InChIInChI=1S/C16H19N3O3/c1-3-14-17-15(22-18-14)9-19(2)16(20)12-8-11-6-4-5-7-13(11)21-10-12/h4-7,12H,3,8-10H2,1-2H3
InChIKeyVKYAXDUKCBGFHV-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.84
Rot. Bonds4

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

N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 72847884) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID72847884
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCCc1noc(CN(C)C(=O)C2COc3ccccc3C2)n1
InChIInChI=1S/C16H19N3O3/c1-3-14-17-15(22-18-14)9-19(2)16(20)12-8-11-6-4-5-7-13(11)21-10-12/h4-7,12H,3,8-10H2,1-2H3
InChIKeyVKYAXDUKCBGFHV-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide (CID 72847884) is N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide is CCc1noc(CN(C)C(=O)C2COc3ccccc3C2)n1.
What is the InChIKey of N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is VKYAXDUKCBGFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-3-14-17-15(22-18-14)9-19(2)16(20)12-8-11-6-4-5-7-13(11)21-10-12/h4-7,12H,3,8-10H2,1-2H3.
What are the key properties of N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide?
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 72847884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).