N-[2-(4-fluorophenyl)-4-oxochromen-6-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propanamide

C22H17FN2O5 — CID 29135484

IUPACN-[2-(4-fluorophenyl)-4-oxochromen-6-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propanamide
SMILESCOc1cc(CCC(=O)Nc2ccc3oc(-c4ccc(F)cc4)cc(=O)c3c2)on1
InChIInChI=1S/C22H17FN2O5/c1-28-22-11-16(30-25-22)7-9-21(27)24-15-6-8-19-17(10-15)18(26)12-20(29-19)13-2-4-14(23)5-3-13/h2-6,8,10-12H,7,9H2,1H3,(H,24,27)
InChIKeyIORBVXAKBJVLEL-UHFFFAOYSA-N
MW408.39 g/mol
LogP4.17
Rot. Bonds6

About N-[2-(4-fluorophenyl)-4-oxochromen-6-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propanamide

N-[2-(4-fluorophenyl)-4-oxochromen-6-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propanamide (PubChem CID 29135484) has the molecular formula C22H17FN2O5 and a molecular weight of 408.39 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-4-oxochromen-6-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-4-oxochromen-6-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propanamide
PubChem CID29135484
Molecular FormulaC22H17FN2O5
Molecular Weight408.39 g/mol
Exact Mass408.11
IUPAC NameN-[2-(4-fluorophenyl)-4-oxochromen-6-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propanamide
SMILESCOc1cc(CCC(=O)Nc2ccc3oc(-c4ccc(F)cc4)cc(=O)c3c2)on1
InChIInChI=1S/C22H17FN2O5/c1-28-22-11-16(30-25-22)7-9-21(27)24-15-6-8-19-17(10-15)18(26)12-20(29-19)13-2-4-14(23)5-3-13/h2-6,8,10-12H,7,9H2,1H3,(H,24,27)
InChIKeyIORBVXAKBJVLEL-UHFFFAOYSA-N
XLogP4.17
TPSA94.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.39
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-4-oxochromen-6-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propanamide?
The IUPAC name of N-[2-(4-fluorophenyl)-4-oxochromen-6-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propanamide (CID 29135484) is N-[2-(4-fluorophenyl)-4-oxochromen-6-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propanamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-4-oxochromen-6-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propanamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-4-oxochromen-6-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propanamide is COc1cc(CCC(=O)Nc2ccc3oc(-c4ccc(F)cc4)cc(=O)c3c2)on1.
What is the InChIKey of N-[2-(4-fluorophenyl)-4-oxochromen-6-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propanamide?
The InChIKey is IORBVXAKBJVLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O5/c1-28-22-11-16(30-25-22)7-9-21(27)24-15-6-8-19-17(10-15)18(26)12-20(29-19)13-2-4-14(23)5-3-13/h2-6,8,10-12H,7,9H2,1H3,(H,24,27).
What are the key properties of N-[2-(4-fluorophenyl)-4-oxochromen-6-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propanamide?
N-[2-(4-fluorophenyl)-4-oxochromen-6-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propanamide has a molecular weight of 408.39 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-4-oxochromen-6-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propanamide is sourced from PubChem (CID 29135484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).