[3-[4-[(2-fluorophenyl)methylamino]phenyl]-1,2-oxazol-5-yl]methyl carbamate

C18H16FN3O3 — CID 66617522

IUPAC[3-[4-[(2-fluorophenyl)methylamino]phenyl]-1,2-oxazol-5-yl]methyl carbamate
SMILESNC(=O)OCc1cc(-c2ccc(NCc3ccccc3F)cc2)no1
InChIInChI=1S/C18H16FN3O3/c19-16-4-2-1-3-13(16)10-21-14-7-5-12(6-8-14)17-9-15(25-22-17)11-24-18(20)23/h1-9,21H,10-11H2,(H2,20,23)
InChIKeyIBCIATPGCLTXRQ-UHFFFAOYSA-N
MW341.34 g/mol
LogP3.69
Rot. Bonds6

About [3-[4-[(2-fluorophenyl)methylamino]phenyl]-1,2-oxazol-5-yl]methyl carbamate

[3-[4-[(2-fluorophenyl)methylamino]phenyl]-1,2-oxazol-5-yl]methyl carbamate (PubChem CID 66617522) has the molecular formula C18H16FN3O3 and a molecular weight of 341.34 g/mol. Its IUPAC name is [3-[4-[(2-fluorophenyl)methylamino]phenyl]-1,2-oxazol-5-yl]methyl carbamate.

Molecular Properties

Compound Name[3-[4-[(2-fluorophenyl)methylamino]phenyl]-1,2-oxazol-5-yl]methyl carbamate
PubChem CID66617522
Molecular FormulaC18H16FN3O3
Molecular Weight341.34 g/mol
Exact Mass341.12
IUPAC Name[3-[4-[(2-fluorophenyl)methylamino]phenyl]-1,2-oxazol-5-yl]methyl carbamate
SMILESNC(=O)OCc1cc(-c2ccc(NCc3ccccc3F)cc2)no1
InChIInChI=1S/C18H16FN3O3/c19-16-4-2-1-3-13(16)10-21-14-7-5-12(6-8-14)17-9-15(25-22-17)11-24-18(20)23/h1-9,21H,10-11H2,(H2,20,23)
InChIKeyIBCIATPGCLTXRQ-UHFFFAOYSA-N
XLogP3.69
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[4-[(2-fluorophenyl)methylamino]phenyl]-1,2-oxazol-5-yl]methyl carbamate?
The IUPAC name of [3-[4-[(2-fluorophenyl)methylamino]phenyl]-1,2-oxazol-5-yl]methyl carbamate (CID 66617522) is [3-[4-[(2-fluorophenyl)methylamino]phenyl]-1,2-oxazol-5-yl]methyl carbamate.
What is the SMILES notation for [3-[4-[(2-fluorophenyl)methylamino]phenyl]-1,2-oxazol-5-yl]methyl carbamate?
The canonical SMILES for [3-[4-[(2-fluorophenyl)methylamino]phenyl]-1,2-oxazol-5-yl]methyl carbamate is NC(=O)OCc1cc(-c2ccc(NCc3ccccc3F)cc2)no1.
What is the InChIKey of [3-[4-[(2-fluorophenyl)methylamino]phenyl]-1,2-oxazol-5-yl]methyl carbamate?
The InChIKey is IBCIATPGCLTXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3/c19-16-4-2-1-3-13(16)10-21-14-7-5-12(6-8-14)17-9-15(25-22-17)11-24-18(20)23/h1-9,21H,10-11H2,(H2,20,23).
What are the key properties of [3-[4-[(2-fluorophenyl)methylamino]phenyl]-1,2-oxazol-5-yl]methyl carbamate?
[3-[4-[(2-fluorophenyl)methylamino]phenyl]-1,2-oxazol-5-yl]methyl carbamate has a molecular weight of 341.34 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-[(2-fluorophenyl)methylamino]phenyl]-1,2-oxazol-5-yl]methyl carbamate is sourced from PubChem (CID 66617522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).