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

C19H24N2O3 — CID 126774217

IUPACN-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-methyl-2-(2-methylpropyl)-1,3-oxazole-5-carboxamide
SMILESCc1nc(CC(C)C)oc1C(=O)NCC1CCOc2ccccc21
InChIInChI=1S/C19H24N2O3/c1-12(2)10-17-21-13(3)18(24-17)19(22)20-11-14-8-9-23-16-7-5-4-6-15(14)16/h4-7,12,14H,8-11H2,1-3H3,(H,20,22)
InChIKeyOHEIGRDHWURODX-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.48
Rot. Bonds5

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

N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-methyl-2-(2-methylpropyl)-1,3-oxazole-5-carboxamide (PubChem CID 126774217) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-methyl-2-(2-methylpropyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-methyl-2-(2-methylpropyl)-1,3-oxazole-5-carboxamide
PubChem CID126774217
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC NameN-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-methyl-2-(2-methylpropyl)-1,3-oxazole-5-carboxamide
SMILESCc1nc(CC(C)C)oc1C(=O)NCC1CCOc2ccccc21
InChIInChI=1S/C19H24N2O3/c1-12(2)10-17-21-13(3)18(24-17)19(22)20-11-14-8-9-23-16-7-5-4-6-15(14)16/h4-7,12,14H,8-11H2,1-3H3,(H,20,22)
InChIKeyOHEIGRDHWURODX-UHFFFAOYSA-N
XLogP3.48
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-methylbenzamide
CID 110709241
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N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-propan-2-ylpyrazole-3-carboxamide
CID 136515525
N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-4-methyl-2-(2-methylpropyl)-1,3-oxazole-5-carboxamide
CID 119046688
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-fluorobenzamide
CID 110709244
N-butan-2-yl-2-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 110680418
2-(cyclopropylmethylamino)-N-(3,4-dihydro-2H-chromen-4-ylmethyl)acetamide;hydrochloride
CID 119762189
3-amino-N-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazine-2-carboxamide
CID 119126287
(2R)-2-(3,4-dihydro-2H-chromen-4-ylmethylamino)propanoic acid
CID 104768961
5-[[(4S)-3,4-dihydro-2H-chromen-4-yl]methylcarbamoyl]pyridine-2-carboxylic acid
CID 124606063
1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]-3-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]urea
CID 97244962
2-(3,4-dihydro-2H-chromen-4-ylmethylamino)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-methyl-2-(2-methylpropyl)-1,3-oxazole-5-carboxamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-methyl-2-(2-methylpropyl)-1,3-oxazole-5-carboxamide (CID 126774217) is N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-methyl-2-(2-methylpropyl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-methyl-2-(2-methylpropyl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-methyl-2-(2-methylpropyl)-1,3-oxazole-5-carboxamide is Cc1nc(CC(C)C)oc1C(=O)NCC1CCOc2ccccc21.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-methyl-2-(2-methylpropyl)-1,3-oxazole-5-carboxamide?
The InChIKey is OHEIGRDHWURODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-12(2)10-17-21-13(3)18(24-17)19(22)20-11-14-8-9-23-16-7-5-4-6-15(14)16/h4-7,12,14H,8-11H2,1-3H3,(H,20,22).
What are the key properties of N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-methyl-2-(2-methylpropyl)-1,3-oxazole-5-carboxamide?
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-methyl-2-(2-methylpropyl)-1,3-oxazole-5-carboxamide has a molecular weight of 328.41 g/mol, XLogP of 3.48, 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-4-ylmethyl)-4-methyl-2-(2-methylpropyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 126774217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).