1-(2-chlorophenyl)ethyl N-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate

C19H16ClFN2O3 — CID 22279549

IUPAC1-(2-chlorophenyl)ethyl N-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate
SMILESCc1onc(-c2cccc(F)c2)c1NC(=O)OC(C)c1ccccc1Cl
InChIInChI=1S/C19H16ClFN2O3/c1-11(15-8-3-4-9-16(15)20)25-19(24)22-17-12(2)26-23-18(17)13-6-5-7-14(21)10-13/h3-11H,1-2H3,(H,22,24)
InChIKeyXBTCRFMUZPATPM-UHFFFAOYSA-N
MW374.80 g/mol
LogP5.75
Rot. Bonds4

About 1-(2-chlorophenyl)ethyl N-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate

1-(2-chlorophenyl)ethyl N-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate (PubChem CID 22279549) has the molecular formula C19H16ClFN2O3 and a molecular weight of 374.80 g/mol. Its IUPAC name is 1-(2-chlorophenyl)ethyl N-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate.

Molecular Properties

Compound Name1-(2-chlorophenyl)ethyl N-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate
PubChem CID22279549
Molecular FormulaC19H16ClFN2O3
Molecular Weight374.80 g/mol
Exact Mass374.08
IUPAC Name1-(2-chlorophenyl)ethyl N-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate
SMILESCc1onc(-c2cccc(F)c2)c1NC(=O)OC(C)c1ccccc1Cl
InChIInChI=1S/C19H16ClFN2O3/c1-11(15-8-3-4-9-16(15)20)25-19(24)22-17-12(2)26-23-18(17)13-6-5-7-14(21)10-13/h3-11H,1-2H3,(H,22,24)
InChIKeyXBTCRFMUZPATPM-UHFFFAOYSA-N
XLogP5.75
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.80
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)ethyl N-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate?
The IUPAC name of 1-(2-chlorophenyl)ethyl N-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate (CID 22279549) is 1-(2-chlorophenyl)ethyl N-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate.
What is the SMILES notation for 1-(2-chlorophenyl)ethyl N-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate?
The canonical SMILES for 1-(2-chlorophenyl)ethyl N-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate is Cc1onc(-c2cccc(F)c2)c1NC(=O)OC(C)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)ethyl N-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate?
The InChIKey is XBTCRFMUZPATPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2O3/c1-11(15-8-3-4-9-16(15)20)25-19(24)22-17-12(2)26-23-18(17)13-6-5-7-14(21)10-13/h3-11H,1-2H3,(H,22,24).
What are the key properties of 1-(2-chlorophenyl)ethyl N-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate?
1-(2-chlorophenyl)ethyl N-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate has a molecular weight of 374.80 g/mol, XLogP of 5.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)ethyl N-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate is sourced from PubChem (CID 22279549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).