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

C17H19N3O3 — CID 72846018

IUPACN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCN(Cc1nc(C2CC2)no1)C(=O)C1COc2ccccc2C1
InChIInChI=1S/C17H19N3O3/c1-20(9-15-18-16(19-23-15)11-6-7-11)17(21)13-8-12-4-2-3-5-14(12)22-10-13/h2-5,11,13H,6-10H2,1H3
InChIKeyNYDDBJLUUIMAGI-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.16
Rot. Bonds4

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

N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 72846018) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID72846018
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCN(Cc1nc(C2CC2)no1)C(=O)C1COc2ccccc2C1
InChIInChI=1S/C17H19N3O3/c1-20(9-15-18-16(19-23-15)11-6-7-11)17(21)13-8-12-4-2-3-5-14(12)22-10-13/h2-5,11,13H,6-10H2,1H3
InChIKeyNYDDBJLUUIMAGI-UHFFFAOYSA-N
XLogP2.16
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide (CID 72846018) is N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide is CN(Cc1nc(C2CC2)no1)C(=O)C1COc2ccccc2C1.
What is the InChIKey of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is NYDDBJLUUIMAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-20(9-15-18-16(19-23-15)11-6-7-11)17(21)13-8-12-4-2-3-5-14(12)22-10-13/h2-5,11,13H,6-10H2,1H3.
What are the key properties of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide?
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 72846018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).