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

C13H13N3O4 — CID 67884067

IUPAC2-[(5-phenyl-1,3-oxazole-4-carbonyl)amino]ethylcarbamic acid
SMILESO=C(O)NCCNC(=O)c1ncoc1-c1ccccc1
InChIInChI=1S/C13H13N3O4/c17-12(14-6-7-15-13(18)19)10-11(20-8-16-10)9-4-2-1-3-5-9/h1-5,8,15H,6-7H2,(H,14,17)(H,18,19)
InChIKeyWSMCFIKEMIJXJG-UHFFFAOYSA-N
MW275.26 g/mol
LogP1.34
Rot. Bonds5

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

2-[(5-phenyl-1,3-oxazole-4-carbonyl)amino]ethylcarbamic acid (PubChem CID 67884067) has the molecular formula C13H13N3O4 and a molecular weight of 275.26 g/mol. Its IUPAC name is 2-[(5-phenyl-1,3-oxazole-4-carbonyl)amino]ethylcarbamic acid.

Molecular Properties

Compound Name2-[(5-phenyl-1,3-oxazole-4-carbonyl)amino]ethylcarbamic acid
PubChem CID67884067
Molecular FormulaC13H13N3O4
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC Name2-[(5-phenyl-1,3-oxazole-4-carbonyl)amino]ethylcarbamic acid
SMILESO=C(O)NCCNC(=O)c1ncoc1-c1ccccc1
InChIInChI=1S/C13H13N3O4/c17-12(14-6-7-15-13(18)19)10-11(20-8-16-10)9-4-2-1-3-5-9/h1-5,8,15H,6-7H2,(H,14,17)(H,18,19)
InChIKeyWSMCFIKEMIJXJG-UHFFFAOYSA-N
XLogP1.34
TPSA104.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[5-(furan-2-yl)-1,3-oxazole-4-carbonyl]amino]ethylcarbamic acid
CID 19768758
N-[2-(4-methoxyphenoxy)ethyl]-5-phenyl-1,3-oxazole-4-carboxamide
CID 110689255
N-[2-(methylamino)ethyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide;dihydrochloride
CID 119502119
N-[2-(cyclohexen-1-yl)ethyl]-5-phenyl-1,3-oxazole-4-carboxamide
CID 110689201
N-(2-methylphenyl)-5-phenyl-1,3-oxazole-4-carboxamide
CID 110689264
N-[2-[[5-(4-fluorophenyl)-1,3-oxazole-4-carbonyl]amino]ethyl]carbamate
CID 19768465
2-[[5-(2,4-difluorophenyl)-1,3-oxazole-4-carbonyl]amino]ethylcarbamic acid
CID 19768842
5-phenyl-1,3-oxazole-4-carboxylate
CID 6932039
2-[(2-amino-5-phenyl-1,3-oxazole-4-carbonyl)amino]ethylcarbamic acid
CID 19768798
N,N-diethyl-5-phenyl-1,3-oxazole-4-carboxamide
CID 110689253
N-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,3-oxazole-4-carboxamide
CID 110689223
N-(3-hydroxy-4-methylpentyl)-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide
CID 111463100

Frequently Asked Questions

What is the IUPAC name of 2-[(5-phenyl-1,3-oxazole-4-carbonyl)amino]ethylcarbamic acid?
The IUPAC name of 2-[(5-phenyl-1,3-oxazole-4-carbonyl)amino]ethylcarbamic acid (CID 67884067) is 2-[(5-phenyl-1,3-oxazole-4-carbonyl)amino]ethylcarbamic acid.
What is the SMILES notation for 2-[(5-phenyl-1,3-oxazole-4-carbonyl)amino]ethylcarbamic acid?
The canonical SMILES for 2-[(5-phenyl-1,3-oxazole-4-carbonyl)amino]ethylcarbamic acid is O=C(O)NCCNC(=O)c1ncoc1-c1ccccc1.
What is the InChIKey of 2-[(5-phenyl-1,3-oxazole-4-carbonyl)amino]ethylcarbamic acid?
The InChIKey is WSMCFIKEMIJXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4/c17-12(14-6-7-15-13(18)19)10-11(20-8-16-10)9-4-2-1-3-5-9/h1-5,8,15H,6-7H2,(H,14,17)(H,18,19).
What are the key properties of 2-[(5-phenyl-1,3-oxazole-4-carbonyl)amino]ethylcarbamic acid?
2-[(5-phenyl-1,3-oxazole-4-carbonyl)amino]ethylcarbamic acid has a molecular weight of 275.26 g/mol, XLogP of 1.34, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-phenyl-1,3-oxazole-4-carbonyl)amino]ethylcarbamic acid is sourced from PubChem (CID 67884067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).