phenyl N-(4-chloro-5-cyclopropyl-1,2-oxazol-3-yl)carbamate

C13H11ClN2O3 — CID 59394659

IUPACphenyl N-(4-chloro-5-cyclopropyl-1,2-oxazol-3-yl)carbamate
SMILESO=C(Nc1noc(C2CC2)c1Cl)Oc1ccccc1
InChIInChI=1S/C13H11ClN2O3/c14-10-11(8-6-7-8)19-16-12(10)15-13(17)18-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,15,16,17)
InChIKeyYCZAFAHAGUOHEJ-UHFFFAOYSA-N
MW278.69 g/mol
LogP3.82
Rot. Bonds3

About phenyl N-(4-chloro-5-cyclopropyl-1,2-oxazol-3-yl)carbamate

phenyl N-(4-chloro-5-cyclopropyl-1,2-oxazol-3-yl)carbamate (PubChem CID 59394659) has the molecular formula C13H11ClN2O3 and a molecular weight of 278.69 g/mol. Its IUPAC name is phenyl N-(4-chloro-5-cyclopropyl-1,2-oxazol-3-yl)carbamate.

Molecular Properties

Compound Namephenyl N-(4-chloro-5-cyclopropyl-1,2-oxazol-3-yl)carbamate
PubChem CID59394659
Molecular FormulaC13H11ClN2O3
Molecular Weight278.69 g/mol
Exact Mass278.05
IUPAC Namephenyl N-(4-chloro-5-cyclopropyl-1,2-oxazol-3-yl)carbamate
SMILESO=C(Nc1noc(C2CC2)c1Cl)Oc1ccccc1
InChIInChI=1S/C13H11ClN2O3/c14-10-11(8-6-7-8)19-16-12(10)15-13(17)18-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,15,16,17)
InChIKeyYCZAFAHAGUOHEJ-UHFFFAOYSA-N
XLogP3.82
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.69
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of phenyl N-(4-chloro-5-cyclopropyl-1,2-oxazol-3-yl)carbamate?
The IUPAC name of phenyl N-(4-chloro-5-cyclopropyl-1,2-oxazol-3-yl)carbamate (CID 59394659) is phenyl N-(4-chloro-5-cyclopropyl-1,2-oxazol-3-yl)carbamate.
What is the SMILES notation for phenyl N-(4-chloro-5-cyclopropyl-1,2-oxazol-3-yl)carbamate?
The canonical SMILES for phenyl N-(4-chloro-5-cyclopropyl-1,2-oxazol-3-yl)carbamate is O=C(Nc1noc(C2CC2)c1Cl)Oc1ccccc1.
What is the InChIKey of phenyl N-(4-chloro-5-cyclopropyl-1,2-oxazol-3-yl)carbamate?
The InChIKey is YCZAFAHAGUOHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O3/c14-10-11(8-6-7-8)19-16-12(10)15-13(17)18-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,15,16,17).
What are the key properties of phenyl N-(4-chloro-5-cyclopropyl-1,2-oxazol-3-yl)carbamate?
phenyl N-(4-chloro-5-cyclopropyl-1,2-oxazol-3-yl)carbamate has a molecular weight of 278.69 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(4-chloro-5-cyclopropyl-1,2-oxazol-3-yl)carbamate is sourced from PubChem (CID 59394659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).