N-(2-aminoethyl)-N-[(5-phenyl-1,2-oxazol-3-yl)carbamoyl]acetamide

C14H16N4O3 — CID 108812739

IUPACN-(2-aminoethyl)-N-[(5-phenyl-1,2-oxazol-3-yl)carbamoyl]acetamide
SMILESCC(=O)N(CCN)C(=O)Nc1cc(-c2ccccc2)on1
InChIInChI=1S/C14H16N4O3/c1-10(19)18(8-7-15)14(20)16-13-9-12(21-17-13)11-5-3-2-4-6-11/h2-6,9H,7-8,15H2,1H3,(H,16,17,20)
InChIKeyGGTJJXSPMRQUQW-UHFFFAOYSA-N
MW288.31 g/mol
LogP1.68
Rot. Bonds4

About N-(2-aminoethyl)-N-[(5-phenyl-1,2-oxazol-3-yl)carbamoyl]acetamide

N-(2-aminoethyl)-N-[(5-phenyl-1,2-oxazol-3-yl)carbamoyl]acetamide (PubChem CID 108812739) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-[(5-phenyl-1,2-oxazol-3-yl)carbamoyl]acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-[(5-phenyl-1,2-oxazol-3-yl)carbamoyl]acetamide
PubChem CID108812739
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC NameN-(2-aminoethyl)-N-[(5-phenyl-1,2-oxazol-3-yl)carbamoyl]acetamide
SMILESCC(=O)N(CCN)C(=O)Nc1cc(-c2ccccc2)on1
InChIInChI=1S/C14H16N4O3/c1-10(19)18(8-7-15)14(20)16-13-9-12(21-17-13)11-5-3-2-4-6-11/h2-6,9H,7-8,15H2,1H3,(H,16,17,20)
InChIKeyGGTJJXSPMRQUQW-UHFFFAOYSA-N
XLogP1.68
TPSA101.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-[(5-phenyl-1,2-oxazol-3-yl)carbamoyl]acetamide?
The IUPAC name of N-(2-aminoethyl)-N-[(5-phenyl-1,2-oxazol-3-yl)carbamoyl]acetamide (CID 108812739) is N-(2-aminoethyl)-N-[(5-phenyl-1,2-oxazol-3-yl)carbamoyl]acetamide.
What is the SMILES notation for N-(2-aminoethyl)-N-[(5-phenyl-1,2-oxazol-3-yl)carbamoyl]acetamide?
The canonical SMILES for N-(2-aminoethyl)-N-[(5-phenyl-1,2-oxazol-3-yl)carbamoyl]acetamide is CC(=O)N(CCN)C(=O)Nc1cc(-c2ccccc2)on1.
What is the InChIKey of N-(2-aminoethyl)-N-[(5-phenyl-1,2-oxazol-3-yl)carbamoyl]acetamide?
The InChIKey is GGTJJXSPMRQUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-10(19)18(8-7-15)14(20)16-13-9-12(21-17-13)11-5-3-2-4-6-11/h2-6,9H,7-8,15H2,1H3,(H,16,17,20).
What are the key properties of N-(2-aminoethyl)-N-[(5-phenyl-1,2-oxazol-3-yl)carbamoyl]acetamide?
N-(2-aminoethyl)-N-[(5-phenyl-1,2-oxazol-3-yl)carbamoyl]acetamide has a molecular weight of 288.31 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-[(5-phenyl-1,2-oxazol-3-yl)carbamoyl]acetamide is sourced from PubChem (CID 108812739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).