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

C13H12FN3O4 — CID 19768597

IUPAC2-[[4-(3-fluorophenyl)-1,2-oxazole-3-carbonyl]amino]ethylcarbamic acid
SMILESO=C(O)NCCNC(=O)c1nocc1-c1cccc(F)c1
InChIInChI=1S/C13H12FN3O4/c14-9-3-1-2-8(6-9)10-7-21-17-11(10)12(18)15-4-5-16-13(19)20/h1-3,6-7,16H,4-5H2,(H,15,18)(H,19,20)
InChIKeyVTQPUHILTWPJIS-UHFFFAOYSA-N
MW293.25 g/mol
LogP1.48
Rot. Bonds5

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

2-[[4-(3-fluorophenyl)-1,2-oxazole-3-carbonyl]amino]ethylcarbamic acid (PubChem CID 19768597) has the molecular formula C13H12FN3O4 and a molecular weight of 293.25 g/mol. Its IUPAC name is 2-[[4-(3-fluorophenyl)-1,2-oxazole-3-carbonyl]amino]ethylcarbamic acid.

Molecular Properties

Compound Name2-[[4-(3-fluorophenyl)-1,2-oxazole-3-carbonyl]amino]ethylcarbamic acid
PubChem CID19768597
Molecular FormulaC13H12FN3O4
Molecular Weight293.25 g/mol
Exact Mass293.08
IUPAC Name2-[[4-(3-fluorophenyl)-1,2-oxazole-3-carbonyl]amino]ethylcarbamic acid
SMILESO=C(O)NCCNC(=O)c1nocc1-c1cccc(F)c1
InChIInChI=1S/C13H12FN3O4/c14-9-3-1-2-8(6-9)10-7-21-17-11(10)12(18)15-4-5-16-13(19)20/h1-3,6-7,16H,4-5H2,(H,15,18)(H,19,20)
InChIKeyVTQPUHILTWPJIS-UHFFFAOYSA-N
XLogP1.48
TPSA104.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 51.48
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

N-[2-[(4-phenyl-1,2-oxazole-3-carbonyl)amino]ethyl]carbamate
CID 19768618
2-[[5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]ethylcarbamic acid
CID 19768518
N-(2-hydroxyethyl)-4-(3-phenyl-1,2-oxazol-4-yl)benzamide
CID 58833396
N-benzyl-3-[3-(3-fluorophenyl)-1,2-oxazol-4-yl]propanamide
CID 53161773
3-fluoro-N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]benzamide
CID 110671393
3-(3-fluorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-4-carboxamide
CID 50805738
2-[[5-(2,4-difluorophenyl)-1,3-oxazole-4-carbonyl]amino]ethylcarbamic acid
CID 19768842
3-(3-fluorophenyl)-5-methyl-N-[(4-methylphenyl)methyl]-1,2-oxazole-4-carboxamide
CID 50805643
3-fluoro-N-[2-[(3-fluorobenzoyl)amino]ethyl]-4-methylbenzamide
CID 33319896
4-(3-fluorophenyl)-3-hydroxypyridine-2-carboxylic acid
CID 154345358
5-(3-fluorophenyl)-N-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392448
N-(cyclopropylmethyl)-3-[3-(3-fluorophenyl)-1,2-oxazol-4-yl]propanamide
CID 53161791

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3-fluorophenyl)-1,2-oxazole-3-carbonyl]amino]ethylcarbamic acid?
The IUPAC name of 2-[[4-(3-fluorophenyl)-1,2-oxazole-3-carbonyl]amino]ethylcarbamic acid (CID 19768597) is 2-[[4-(3-fluorophenyl)-1,2-oxazole-3-carbonyl]amino]ethylcarbamic acid.
What is the SMILES notation for 2-[[4-(3-fluorophenyl)-1,2-oxazole-3-carbonyl]amino]ethylcarbamic acid?
The canonical SMILES for 2-[[4-(3-fluorophenyl)-1,2-oxazole-3-carbonyl]amino]ethylcarbamic acid is O=C(O)NCCNC(=O)c1nocc1-c1cccc(F)c1.
What is the InChIKey of 2-[[4-(3-fluorophenyl)-1,2-oxazole-3-carbonyl]amino]ethylcarbamic acid?
The InChIKey is VTQPUHILTWPJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O4/c14-9-3-1-2-8(6-9)10-7-21-17-11(10)12(18)15-4-5-16-13(19)20/h1-3,6-7,16H,4-5H2,(H,15,18)(H,19,20).
What are the key properties of 2-[[4-(3-fluorophenyl)-1,2-oxazole-3-carbonyl]amino]ethylcarbamic acid?
2-[[4-(3-fluorophenyl)-1,2-oxazole-3-carbonyl]amino]ethylcarbamic acid has a molecular weight of 293.25 g/mol, XLogP of 1.48, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3-fluorophenyl)-1,2-oxazole-3-carbonyl]amino]ethylcarbamic acid is sourced from PubChem (CID 19768597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).