2-[(2-amino-5-phenyl-1,3-oxazole-4-carbonyl)amino]ethylcarbamic acid

C13H14N4O4 — CID 19768798

IUPAC2-[(2-amino-5-phenyl-1,3-oxazole-4-carbonyl)amino]ethylcarbamic acid
SMILESNc1nc(C(=O)NCCNC(=O)O)c(-c2ccccc2)o1
InChIInChI=1S/C13H14N4O4/c14-12-17-9(11(18)15-6-7-16-13(19)20)10(21-12)8-4-2-1-3-5-8/h1-5,16H,6-7H2,(H2,14,17)(H,15,18)(H,19,20)
InChIKeyVCPXLNQDFPFKLF-UHFFFAOYSA-N
MW290.28 g/mol
LogP0.92
Rot. Bonds5

About 2-[(2-amino-5-phenyl-1,3-oxazole-4-carbonyl)amino]ethylcarbamic acid

2-[(2-amino-5-phenyl-1,3-oxazole-4-carbonyl)amino]ethylcarbamic acid (PubChem CID 19768798) has the molecular formula C13H14N4O4 and a molecular weight of 290.28 g/mol. Its IUPAC name is 2-[(2-amino-5-phenyl-1,3-oxazole-4-carbonyl)amino]ethylcarbamic acid.

Molecular Properties

Compound Name2-[(2-amino-5-phenyl-1,3-oxazole-4-carbonyl)amino]ethylcarbamic acid
PubChem CID19768798
Molecular FormulaC13H14N4O4
Molecular Weight290.28 g/mol
Exact Mass290.10
IUPAC Name2-[(2-amino-5-phenyl-1,3-oxazole-4-carbonyl)amino]ethylcarbamic acid
SMILESNc1nc(C(=O)NCCNC(=O)O)c(-c2ccccc2)o1
InChIInChI=1S/C13H14N4O4/c14-12-17-9(11(18)15-6-7-16-13(19)20)10(21-12)8-4-2-1-3-5-8/h1-5,16H,6-7H2,(H2,14,17)(H,15,18)(H,19,20)
InChIKeyVCPXLNQDFPFKLF-UHFFFAOYSA-N
XLogP0.92
TPSA130.48 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 50.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-5-phenyl-1,3-oxazole-4-carbonyl)amino]ethylcarbamic acid?
The IUPAC name of 2-[(2-amino-5-phenyl-1,3-oxazole-4-carbonyl)amino]ethylcarbamic acid (CID 19768798) is 2-[(2-amino-5-phenyl-1,3-oxazole-4-carbonyl)amino]ethylcarbamic acid.
What is the SMILES notation for 2-[(2-amino-5-phenyl-1,3-oxazole-4-carbonyl)amino]ethylcarbamic acid?
The canonical SMILES for 2-[(2-amino-5-phenyl-1,3-oxazole-4-carbonyl)amino]ethylcarbamic acid is Nc1nc(C(=O)NCCNC(=O)O)c(-c2ccccc2)o1.
What is the InChIKey of 2-[(2-amino-5-phenyl-1,3-oxazole-4-carbonyl)amino]ethylcarbamic acid?
The InChIKey is VCPXLNQDFPFKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O4/c14-12-17-9(11(18)15-6-7-16-13(19)20)10(21-12)8-4-2-1-3-5-8/h1-5,16H,6-7H2,(H2,14,17)(H,15,18)(H,19,20).
What are the key properties of 2-[(2-amino-5-phenyl-1,3-oxazole-4-carbonyl)amino]ethylcarbamic acid?
2-[(2-amino-5-phenyl-1,3-oxazole-4-carbonyl)amino]ethylcarbamic acid has a molecular weight of 290.28 g/mol, XLogP of 0.92, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-5-phenyl-1,3-oxazole-4-carbonyl)amino]ethylcarbamic acid is sourced from PubChem (CID 19768798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).