N-(9-ethylcarbazol-3-yl)-3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]propanamide

C26H22FN3O2 — CID 25033812

IUPACN-(9-ethylcarbazol-3-yl)-3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]propanamide
SMILESCCn1c2ccccc2c2cc(NC(=O)CCc3cc(-c4ccccc4F)no3)ccc21
InChIInChI=1S/C26H22FN3O2/c1-2-30-24-10-6-4-7-19(24)21-15-17(11-13-25(21)30)28-26(31)14-12-18-16-23(29-32-18)20-8-3-5-9-22(20)27/h3-11,13,15-16H,2,12,14H2,1H3,(H,28,31)
InChIKeyQCYIKNZWXJIYAF-UHFFFAOYSA-N
MW427.48 g/mol
LogP6.18
Rot. Bonds6

About N-(9-ethylcarbazol-3-yl)-3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]propanamide

N-(9-ethylcarbazol-3-yl)-3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]propanamide (PubChem CID 25033812) has the molecular formula C26H22FN3O2 and a molecular weight of 427.48 g/mol. Its IUPAC name is N-(9-ethylcarbazol-3-yl)-3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]propanamide.

Molecular Properties

Compound NameN-(9-ethylcarbazol-3-yl)-3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]propanamide
PubChem CID25033812
Molecular FormulaC26H22FN3O2
Molecular Weight427.48 g/mol
Exact Mass427.17
IUPAC NameN-(9-ethylcarbazol-3-yl)-3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]propanamide
SMILESCCn1c2ccccc2c2cc(NC(=O)CCc3cc(-c4ccccc4F)no3)ccc21
InChIInChI=1S/C26H22FN3O2/c1-2-30-24-10-6-4-7-19(24)21-15-17(11-13-25(21)30)28-26(31)14-12-18-16-23(29-32-18)20-8-3-5-9-22(20)27/h3-11,13,15-16H,2,12,14H2,1H3,(H,28,31)
InChIKeyQCYIKNZWXJIYAF-UHFFFAOYSA-N
XLogP6.18
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.48
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(9-ethylcarbazol-3-yl)-3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]propanamide?
The IUPAC name of N-(9-ethylcarbazol-3-yl)-3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]propanamide (CID 25033812) is N-(9-ethylcarbazol-3-yl)-3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]propanamide.
What is the SMILES notation for N-(9-ethylcarbazol-3-yl)-3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]propanamide?
The canonical SMILES for N-(9-ethylcarbazol-3-yl)-3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]propanamide is CCn1c2ccccc2c2cc(NC(=O)CCc3cc(-c4ccccc4F)no3)ccc21.
What is the InChIKey of N-(9-ethylcarbazol-3-yl)-3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]propanamide?
The InChIKey is QCYIKNZWXJIYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN3O2/c1-2-30-24-10-6-4-7-19(24)21-15-17(11-13-25(21)30)28-26(31)14-12-18-16-23(29-32-18)20-8-3-5-9-22(20)27/h3-11,13,15-16H,2,12,14H2,1H3,(H,28,31).
What are the key properties of N-(9-ethylcarbazol-3-yl)-3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]propanamide?
N-(9-ethylcarbazol-3-yl)-3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]propanamide has a molecular weight of 427.48 g/mol, XLogP of 6.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-ethylcarbazol-3-yl)-3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]propanamide is sourced from PubChem (CID 25033812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).