N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,2-oxazole-3-carboxamide

C10H14N2O4 — CID 75506216

IUPACN-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCC1(CCNC(=O)c2ccon2)OCCO1
InChIInChI=1S/C10H14N2O4/c1-10(14-6-7-15-10)3-4-11-9(13)8-2-5-16-12-8/h2,5H,3-4,6-7H2,1H3,(H,11,13)
InChIKeyVIXABHPKDYSRSB-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.56
Rot. Bonds4

About N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,2-oxazole-3-carboxamide

N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 75506216) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,2-oxazole-3-carboxamide
PubChem CID75506216
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC NameN-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCC1(CCNC(=O)c2ccon2)OCCO1
InChIInChI=1S/C10H14N2O4/c1-10(14-6-7-15-10)3-4-11-9(13)8-2-5-16-12-8/h2,5H,3-4,6-7H2,1H3,(H,11,13)
InChIKeyVIXABHPKDYSRSB-UHFFFAOYSA-N
XLogP0.56
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,2-oxazole-3-carboxamide (CID 75506216) is N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,2-oxazole-3-carboxamide is CC1(CCNC(=O)c2ccon2)OCCO1.
What is the InChIKey of N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is VIXABHPKDYSRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-10(14-6-7-15-10)3-4-11-9(13)8-2-5-16-12-8/h2,5H,3-4,6-7H2,1H3,(H,11,13).
What are the key properties of N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,2-oxazole-3-carboxamide?
N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 226.23 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 75506216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).