N-(3,4-dihydro-2H-chromen-3-ylmethyl)-5-propyl-1,2-oxazole-3-carboxamide

C17H20N2O3 — CID 72915757

IUPACN-(3,4-dihydro-2H-chromen-3-ylmethyl)-5-propyl-1,2-oxazole-3-carboxamide
SMILESCCCc1cc(C(=O)NCC2COc3ccccc3C2)no1
InChIInChI=1S/C17H20N2O3/c1-2-5-14-9-15(19-22-14)17(20)18-10-12-8-13-6-3-4-7-16(13)21-11-12/h3-4,6-7,9,12H,2,5,8,10-11H2,1H3,(H,18,20)
InChIKeyOETZFCPVCJSCGR-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.61
Rot. Bonds5

About N-(3,4-dihydro-2H-chromen-3-ylmethyl)-5-propyl-1,2-oxazole-3-carboxamide

N-(3,4-dihydro-2H-chromen-3-ylmethyl)-5-propyl-1,2-oxazole-3-carboxamide (PubChem CID 72915757) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-3-ylmethyl)-5-propyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-3-ylmethyl)-5-propyl-1,2-oxazole-3-carboxamide
PubChem CID72915757
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC NameN-(3,4-dihydro-2H-chromen-3-ylmethyl)-5-propyl-1,2-oxazole-3-carboxamide
SMILESCCCc1cc(C(=O)NCC2COc3ccccc3C2)no1
InChIInChI=1S/C17H20N2O3/c1-2-5-14-9-15(19-22-14)17(20)18-10-12-8-13-6-3-4-7-16(13)21-11-12/h3-4,6-7,9,12H,2,5,8,10-11H2,1H3,(H,18,20)
InChIKeyOETZFCPVCJSCGR-UHFFFAOYSA-N
XLogP2.61
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dihydro-2H-chromen-3-ylmethyl)-5-ethyl-1H-pyrazole-3-carboxamide
CID 102556008
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]pyridine-2-carboxamide
CID 99779688
1-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-ethylurea
CID 47117479
N-(3,4-dihydro-2H-chromen-3-ylmethyl)pyrazine-2-carboxamide
CID 47115544
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-methylbenzamide
CID 51211932
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-6-oxo-1H-pyrazine-3-carboxamide
CID 97284274
4-bromo-N-(3,4-dihydro-2H-chromen-3-ylmethyl)-1H-pyrrole-2-carboxamide
CID 47116194
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 35422359
N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 97275919
N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 97275918
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-methylfuran-2-carboxamide
CID 51241210
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
CID 102556261

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-5-propyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-5-propyl-1,2-oxazole-3-carboxamide (CID 72915757) is N-(3,4-dihydro-2H-chromen-3-ylmethyl)-5-propyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-3-ylmethyl)-5-propyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-3-ylmethyl)-5-propyl-1,2-oxazole-3-carboxamide is CCCc1cc(C(=O)NCC2COc3ccccc3C2)no1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-5-propyl-1,2-oxazole-3-carboxamide?
The InChIKey is OETZFCPVCJSCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-2-5-14-9-15(19-22-14)17(20)18-10-12-8-13-6-3-4-7-16(13)21-11-12/h3-4,6-7,9,12H,2,5,8,10-11H2,1H3,(H,18,20).
What are the key properties of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-5-propyl-1,2-oxazole-3-carboxamide?
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-5-propyl-1,2-oxazole-3-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-3-ylmethyl)-5-propyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 72915757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).