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

C17H21N3O3 — CID 72888590

IUPACN-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCCCc1noc(CN(C)C(=O)C2COc3ccccc3C2)n1
InChIInChI=1S/C17H21N3O3/c1-3-6-15-18-16(23-19-15)10-20(2)17(21)13-9-12-7-4-5-8-14(12)22-11-13/h4-5,7-8,13H,3,6,9-11H2,1-2H3
InChIKeyPLOQRTGJFKSNRP-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.23
Rot. Bonds5

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

N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 72888590) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID72888590
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCCCc1noc(CN(C)C(=O)C2COc3ccccc3C2)n1
InChIInChI=1S/C17H21N3O3/c1-3-6-15-18-16(23-19-15)10-20(2)17(21)13-9-12-7-4-5-8-14(12)22-11-13/h4-5,7-8,13H,3,6,9-11H2,1-2H3
InChIKeyPLOQRTGJFKSNRP-UHFFFAOYSA-N
XLogP2.23
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 72888590) is N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide is CCCc1noc(CN(C)C(=O)C2COc3ccccc3C2)n1.
What is the InChIKey of N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is PLOQRTGJFKSNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-3-6-15-18-16(23-19-15)10-20(2)17(21)13-9-12-7-4-5-8-14(12)22-11-13/h4-5,7-8,13H,3,6,9-11H2,1-2H3.
What are the key properties of N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 72888590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).