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

C17H21N3O3 — CID 72889987

IUPACN-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCC(C)c1noc(CCNC(=O)C2COc3ccccc3C2)n1
InChIInChI=1S/C17H21N3O3/c1-11(2)16-19-15(23-20-16)7-8-18-17(21)13-9-12-5-3-4-6-14(12)22-10-13/h3-6,11,13H,7-10H2,1-2H3,(H,18,21)
InChIKeyPVQYOGYAFSGVTR-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.10
Rot. Bonds5

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

N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 72889987) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID72889987
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCC(C)c1noc(CCNC(=O)C2COc3ccccc3C2)n1
InChIInChI=1S/C17H21N3O3/c1-11(2)16-19-15(23-20-16)7-8-18-17(21)13-9-12-5-3-4-6-14(12)22-10-13/h3-6,11,13H,7-10H2,1-2H3,(H,18,21)
InChIKeyPVQYOGYAFSGVTR-UHFFFAOYSA-N
XLogP2.10
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-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-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 72889987) is N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide is CC(C)c1noc(CCNC(=O)C2COc3ccccc3C2)n1.
What is the InChIKey of N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is PVQYOGYAFSGVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-11(2)16-19-15(23-20-16)7-8-18-17(21)13-9-12-5-3-4-6-14(12)22-10-13/h3-6,11,13H,7-10H2,1-2H3,(H,18,21).
What are the key properties of N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide?
N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 72889987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).