2-[(2,2-dimethylpropanoylamino)methyl]-N,N-diethyl-5-methyl-1,3-oxazole-4-carboxamide

C15H25N3O3 — CID 53195614

IUPAC2-[(2,2-dimethylpropanoylamino)methyl]-N,N-diethyl-5-methyl-1,3-oxazole-4-carboxamide
SMILESCCN(CC)C(=O)c1nc(CNC(=O)C(C)(C)C)oc1C
InChIInChI=1S/C15H25N3O3/c1-7-18(8-2)13(19)12-10(3)21-11(17-12)9-16-14(20)15(4,5)6/h7-9H2,1-6H3,(H,16,20)
InChIKeyKJHPGUCBWNORQP-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.13
Rot. Bonds5

About 2-[(2,2-dimethylpropanoylamino)methyl]-N,N-diethyl-5-methyl-1,3-oxazole-4-carboxamide

2-[(2,2-dimethylpropanoylamino)methyl]-N,N-diethyl-5-methyl-1,3-oxazole-4-carboxamide (PubChem CID 53195614) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-[(2,2-dimethylpropanoylamino)methyl]-N,N-diethyl-5-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[(2,2-dimethylpropanoylamino)methyl]-N,N-diethyl-5-methyl-1,3-oxazole-4-carboxamide
PubChem CID53195614
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name2-[(2,2-dimethylpropanoylamino)methyl]-N,N-diethyl-5-methyl-1,3-oxazole-4-carboxamide
SMILESCCN(CC)C(=O)c1nc(CNC(=O)C(C)(C)C)oc1C
InChIInChI=1S/C15H25N3O3/c1-7-18(8-2)13(19)12-10(3)21-11(17-12)9-16-14(20)15(4,5)6/h7-9H2,1-6H3,(H,16,20)
InChIKeyKJHPGUCBWNORQP-UHFFFAOYSA-N
XLogP2.13
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethylpropanoylamino)methyl]-N,N-diethyl-5-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[(2,2-dimethylpropanoylamino)methyl]-N,N-diethyl-5-methyl-1,3-oxazole-4-carboxamide (CID 53195614) is 2-[(2,2-dimethylpropanoylamino)methyl]-N,N-diethyl-5-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[(2,2-dimethylpropanoylamino)methyl]-N,N-diethyl-5-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[(2,2-dimethylpropanoylamino)methyl]-N,N-diethyl-5-methyl-1,3-oxazole-4-carboxamide is CCN(CC)C(=O)c1nc(CNC(=O)C(C)(C)C)oc1C.
What is the InChIKey of 2-[(2,2-dimethylpropanoylamino)methyl]-N,N-diethyl-5-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is KJHPGUCBWNORQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-7-18(8-2)13(19)12-10(3)21-11(17-12)9-16-14(20)15(4,5)6/h7-9H2,1-6H3,(H,16,20).
What are the key properties of 2-[(2,2-dimethylpropanoylamino)methyl]-N,N-diethyl-5-methyl-1,3-oxazole-4-carboxamide?
2-[(2,2-dimethylpropanoylamino)methyl]-N,N-diethyl-5-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 295.38 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethylpropanoylamino)methyl]-N,N-diethyl-5-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 53195614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).