N-[2-[(4-phenyl-1,2-oxazole-3-carbonyl)amino]ethyl]carbamate

C13H12N3O4- — CID 19768618

IUPACN-[2-[(4-phenyl-1,2-oxazole-3-carbonyl)amino]ethyl]carbamate
SMILESO=C([O-])NCCNC(=O)c1nocc1-c1ccccc1
InChIInChI=1S/C13H13N3O4/c17-12(14-6-7-15-13(18)19)11-10(8-20-16-11)9-4-2-1-3-5-9/h1-5,8,15H,6-7H2,(H,14,17)(H,18,19)/p-1
InChIKeyHKUOTHYRCDQWNN-UHFFFAOYSA-M
MW274.26 g/mol
LogP0.00
Rot. Bonds5

About N-[2-[(4-phenyl-1,2-oxazole-3-carbonyl)amino]ethyl]carbamate

N-[2-[(4-phenyl-1,2-oxazole-3-carbonyl)amino]ethyl]carbamate (PubChem CID 19768618) has the molecular formula C13H12N3O4- and a molecular weight of 274.26 g/mol. Its IUPAC name is N-[2-[(4-phenyl-1,2-oxazole-3-carbonyl)amino]ethyl]carbamate.

Molecular Properties

Compound NameN-[2-[(4-phenyl-1,2-oxazole-3-carbonyl)amino]ethyl]carbamate
PubChem CID19768618
Molecular FormulaC13H12N3O4-
Molecular Weight274.26 g/mol
Exact Mass274.08
IUPAC NameN-[2-[(4-phenyl-1,2-oxazole-3-carbonyl)amino]ethyl]carbamate
SMILESO=C([O-])NCCNC(=O)c1nocc1-c1ccccc1
InChIInChI=1S/C13H13N3O4/c17-12(14-6-7-15-13(18)19)11-10(8-20-16-11)9-4-2-1-3-5-9/h1-5,8,15H,6-7H2,(H,14,17)(H,18,19)/p-1
InChIKeyHKUOTHYRCDQWNN-UHFFFAOYSA-M
XLogP0.00
TPSA107.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.26
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-[(4-phenyl-1,2-oxazole-3-carbonyl)amino]ethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl-[2-[(4-phenyl-1,2-oxazole-3-carbonyl)amino]ethyl]carbamic acid
CID 70365205
2-[[4-(3-fluorophenyl)-1,2-oxazole-3-carbonyl]amino]ethylcarbamic acid
CID 19768597
N-[5-(diaminomethylideneamino)pentyl]-4-phenyl-1,2-oxazole-3-carboxamide
CID 171108414
N-(2-hydroxyethyl)-4-(3-phenyl-1,2-oxazol-4-yl)benzamide
CID 58833396
3-phenyl-N-(2-phenylethyl)-1,2-oxazole-4-carboxamide
CID 100771698
N-(3-methylbutyl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 100772034
4-cyclopropyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide
CID 140824522
N-(2-triphenylphosphaniumylethyl)carbamate
CID 87554015
N-(2-aminoethyl)-4-methyl-1,2-oxazole-3-carboxamide
CID 83617532
2-[(5-phenyl-1,3-oxazole-4-carbonyl)amino]ethylcarbamic acid
CID 67884067
N-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]ethyl]carbamate
CID 21297353
N-butyl-2-hydroxy-3-phenylbenzamide
CID 8579

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-phenyl-1,2-oxazole-3-carbonyl)amino]ethyl]carbamate?
The IUPAC name of N-[2-[(4-phenyl-1,2-oxazole-3-carbonyl)amino]ethyl]carbamate (CID 19768618) is N-[2-[(4-phenyl-1,2-oxazole-3-carbonyl)amino]ethyl]carbamate.
What is the SMILES notation for N-[2-[(4-phenyl-1,2-oxazole-3-carbonyl)amino]ethyl]carbamate?
The canonical SMILES for N-[2-[(4-phenyl-1,2-oxazole-3-carbonyl)amino]ethyl]carbamate is O=C([O-])NCCNC(=O)c1nocc1-c1ccccc1.
What is the InChIKey of N-[2-[(4-phenyl-1,2-oxazole-3-carbonyl)amino]ethyl]carbamate?
The InChIKey is HKUOTHYRCDQWNN-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H13N3O4/c17-12(14-6-7-15-13(18)19)11-10(8-20-16-11)9-4-2-1-3-5-9/h1-5,8,15H,6-7H2,(H,14,17)(H,18,19)/p-1.
What are the key properties of N-[2-[(4-phenyl-1,2-oxazole-3-carbonyl)amino]ethyl]carbamate?
N-[2-[(4-phenyl-1,2-oxazole-3-carbonyl)amino]ethyl]carbamate has a molecular weight of 274.26 g/mol, XLogP of 0.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-phenyl-1,2-oxazole-3-carbonyl)amino]ethyl]carbamate is sourced from PubChem (CID 19768618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).