N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]-1,2-oxazole-5-carboxamide

C19H24N2O3 — CID 90653757

IUPACN-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]-1,2-oxazole-5-carboxamide
SMILESCC1(C)CC(CCNC(=O)c2ccno2)(c2ccccc2)CCO1
InChIInChI=1S/C19H24N2O3/c1-18(2)14-19(10-13-23-18,15-6-4-3-5-7-15)9-12-20-17(22)16-8-11-21-24-16/h3-8,11H,9-10,12-14H2,1-2H3,(H,20,22)
InChIKeyDKNIBSKQPBRKHH-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.32
Rot. Bonds5

About N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]-1,2-oxazole-5-carboxamide

N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]-1,2-oxazole-5-carboxamide (PubChem CID 90653757) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]-1,2-oxazole-5-carboxamide
PubChem CID90653757
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC NameN-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]-1,2-oxazole-5-carboxamide
SMILESCC1(C)CC(CCNC(=O)c2ccno2)(c2ccccc2)CCO1
InChIInChI=1S/C19H24N2O3/c1-18(2)14-19(10-13-23-18,15-6-4-3-5-7-15)9-12-20-17(22)16-8-11-21-24-16/h3-8,11H,9-10,12-14H2,1-2H3,(H,20,22)
InChIKeyDKNIBSKQPBRKHH-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]-1,2-oxazole-5-carboxamide (CID 90653757) is N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]-1,2-oxazole-5-carboxamide is CC1(C)CC(CCNC(=O)c2ccno2)(c2ccccc2)CCO1.
What is the InChIKey of N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]-1,2-oxazole-5-carboxamide?
The InChIKey is DKNIBSKQPBRKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-18(2)14-19(10-13-23-18,15-6-4-3-5-7-15)9-12-20-17(22)16-8-11-21-24-16/h3-8,11H,9-10,12-14H2,1-2H3,(H,20,22).
What are the key properties of N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]-1,2-oxazole-5-carboxamide?
N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]-1,2-oxazole-5-carboxamide has a molecular weight of 328.41 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 90653757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).