N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-methyl-2-(2-methylpropyl)-1,3-oxazole-5-carboxamide

C20H26N2O3 — CID 126795877

IUPACN-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-methyl-2-(2-methylpropyl)-1,3-oxazole-5-carboxamide
SMILESCc1nc(CC(C)C)oc1C(=O)NC1CC(C)(C)Oc2ccccc21
InChIInChI=1S/C20H26N2O3/c1-12(2)10-17-21-13(3)18(24-17)19(23)22-15-11-20(4,5)25-16-9-7-6-8-14(15)16/h6-9,12,15H,10-11H2,1-5H3,(H,22,23)
InChIKeyABCYOGXPACPYJG-UHFFFAOYSA-N
MW342.44 g/mol
LogP4.21
Rot. Bonds4

About N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-methyl-2-(2-methylpropyl)-1,3-oxazole-5-carboxamide

N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-methyl-2-(2-methylpropyl)-1,3-oxazole-5-carboxamide (PubChem CID 126795877) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-methyl-2-(2-methylpropyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-methyl-2-(2-methylpropyl)-1,3-oxazole-5-carboxamide
PubChem CID126795877
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC NameN-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-methyl-2-(2-methylpropyl)-1,3-oxazole-5-carboxamide
SMILESCc1nc(CC(C)C)oc1C(=O)NC1CC(C)(C)Oc2ccccc21
InChIInChI=1S/C20H26N2O3/c1-12(2)10-17-21-13(3)18(24-17)19(23)22-15-11-20(4,5)25-16-9-7-6-8-14(15)16/h6-9,12,15H,10-11H2,1-5H3,(H,22,23)
InChIKeyABCYOGXPACPYJG-UHFFFAOYSA-N
XLogP4.21
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-methyl-2-(2-methylpropyl)-1,3-oxazole-5-carboxamide?
The IUPAC name of N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-methyl-2-(2-methylpropyl)-1,3-oxazole-5-carboxamide (CID 126795877) is N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-methyl-2-(2-methylpropyl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-methyl-2-(2-methylpropyl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-methyl-2-(2-methylpropyl)-1,3-oxazole-5-carboxamide is Cc1nc(CC(C)C)oc1C(=O)NC1CC(C)(C)Oc2ccccc21.
What is the InChIKey of N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-methyl-2-(2-methylpropyl)-1,3-oxazole-5-carboxamide?
The InChIKey is ABCYOGXPACPYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-12(2)10-17-21-13(3)18(24-17)19(23)22-15-11-20(4,5)25-16-9-7-6-8-14(15)16/h6-9,12,15H,10-11H2,1-5H3,(H,22,23).
What are the key properties of N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-methyl-2-(2-methylpropyl)-1,3-oxazole-5-carboxamide?
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-methyl-2-(2-methylpropyl)-1,3-oxazole-5-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-methyl-2-(2-methylpropyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 126795877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).