[4-chloro-2-(ethylamino)-3-fluorophenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone

C15H14ClFN2O2 — CID 22621164

IUPAC[4-chloro-2-(ethylamino)-3-fluorophenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone
SMILESCCNc1c(C(=O)c2cnoc2C2CC2)ccc(Cl)c1F
InChIInChI=1S/C15H14ClFN2O2/c1-2-18-13-9(5-6-11(16)12(13)17)14(20)10-7-19-21-15(10)8-3-4-8/h5-8,18H,2-4H2,1H3
InChIKeyRNFSRLGMHYUWAP-UHFFFAOYSA-N
MW308.74 g/mol
LogP4.01
Rot. Bonds5

About [4-chloro-2-(ethylamino)-3-fluorophenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone

[4-chloro-2-(ethylamino)-3-fluorophenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone (PubChem CID 22621164) has the molecular formula C15H14ClFN2O2 and a molecular weight of 308.74 g/mol. Its IUPAC name is [4-chloro-2-(ethylamino)-3-fluorophenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[4-chloro-2-(ethylamino)-3-fluorophenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone
PubChem CID22621164
Molecular FormulaC15H14ClFN2O2
Molecular Weight308.74 g/mol
Exact Mass308.07
IUPAC Name[4-chloro-2-(ethylamino)-3-fluorophenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone
SMILESCCNc1c(C(=O)c2cnoc2C2CC2)ccc(Cl)c1F
InChIInChI=1S/C15H14ClFN2O2/c1-2-18-13-9(5-6-11(16)12(13)17)14(20)10-7-19-21-15(10)8-3-4-8/h5-8,18H,2-4H2,1H3
InChIKeyRNFSRLGMHYUWAP-UHFFFAOYSA-N
XLogP4.01
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.74
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-(ethylamino)-3-fluorophenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone?
The IUPAC name of [4-chloro-2-(ethylamino)-3-fluorophenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone (CID 22621164) is [4-chloro-2-(ethylamino)-3-fluorophenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for [4-chloro-2-(ethylamino)-3-fluorophenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for [4-chloro-2-(ethylamino)-3-fluorophenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone is CCNc1c(C(=O)c2cnoc2C2CC2)ccc(Cl)c1F.
What is the InChIKey of [4-chloro-2-(ethylamino)-3-fluorophenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone?
The InChIKey is RNFSRLGMHYUWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O2/c1-2-18-13-9(5-6-11(16)12(13)17)14(20)10-7-19-21-15(10)8-3-4-8/h5-8,18H,2-4H2,1H3.
What are the key properties of [4-chloro-2-(ethylamino)-3-fluorophenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone?
[4-chloro-2-(ethylamino)-3-fluorophenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone has a molecular weight of 308.74 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-(ethylamino)-3-fluorophenyl]-(5-cyclopropyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 22621164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).