N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-ethoxy-1,3-oxazole-2-carboxamide

C11H17N3O4 — CID 75458646

IUPACN-(3-amino-2,2-dimethyl-3-oxopropyl)-5-ethoxy-1,3-oxazole-2-carboxamide
SMILESCCOc1cnc(C(=O)NCC(C)(C)C(N)=O)o1
InChIInChI=1S/C11H17N3O4/c1-4-17-7-5-13-9(18-7)8(15)14-6-11(2,3)10(12)16/h5H,4,6H2,1-3H3,(H2,12,16)(H,14,15)
InChIKeyJZBANNSGLNQFNO-UHFFFAOYSA-N
MW255.27 g/mol
LogP0.31
Rot. Bonds6

About N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-ethoxy-1,3-oxazole-2-carboxamide

N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-ethoxy-1,3-oxazole-2-carboxamide (PubChem CID 75458646) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-ethoxy-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethyl-3-oxopropyl)-5-ethoxy-1,3-oxazole-2-carboxamide
PubChem CID75458646
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC NameN-(3-amino-2,2-dimethyl-3-oxopropyl)-5-ethoxy-1,3-oxazole-2-carboxamide
SMILESCCOc1cnc(C(=O)NCC(C)(C)C(N)=O)o1
InChIInChI=1S/C11H17N3O4/c1-4-17-7-5-13-9(18-7)8(15)14-6-11(2,3)10(12)16/h5H,4,6H2,1-3H3,(H2,12,16)(H,14,15)
InChIKeyJZBANNSGLNQFNO-UHFFFAOYSA-N
XLogP0.31
TPSA107.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-ethoxy-1,3-oxazole-2-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-ethoxy-1,3-oxazole-2-carboxamide (CID 75458646) is N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-ethoxy-1,3-oxazole-2-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-ethoxy-1,3-oxazole-2-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-ethoxy-1,3-oxazole-2-carboxamide is CCOc1cnc(C(=O)NCC(C)(C)C(N)=O)o1.
What is the InChIKey of N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-ethoxy-1,3-oxazole-2-carboxamide?
The InChIKey is JZBANNSGLNQFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-4-17-7-5-13-9(18-7)8(15)14-6-11(2,3)10(12)16/h5H,4,6H2,1-3H3,(H2,12,16)(H,14,15).
What are the key properties of N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-ethoxy-1,3-oxazole-2-carboxamide?
N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-ethoxy-1,3-oxazole-2-carboxamide has a molecular weight of 255.27 g/mol, XLogP of 0.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-ethoxy-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 75458646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).