2-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-6-(5-methyl-1H-pyrazol-4-yl)-1,3-benzoxazole

C20H16FN3O2 — CID 70908537

IUPAC2-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-6-(5-methyl-1H-pyrazol-4-yl)-1,3-benzoxazole
SMILESCc1[nH]ncc1-c1ccc2nc(C3COc4ccc(F)cc4C3)oc2c1
InChIInChI=1S/C20H16FN3O2/c1-11-16(9-22-24-11)12-2-4-17-19(8-12)26-20(23-17)14-6-13-7-15(21)3-5-18(13)25-10-14/h2-5,7-9,14H,6,10H2,1H3,(H,22,24)
InChIKeyBJJWVTQFRQEUCY-UHFFFAOYSA-N
MW349.37 g/mol
LogP4.38
Rot. Bonds2

About 2-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-6-(5-methyl-1H-pyrazol-4-yl)-1,3-benzoxazole

2-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-6-(5-methyl-1H-pyrazol-4-yl)-1,3-benzoxazole (PubChem CID 70908537) has the molecular formula C20H16FN3O2 and a molecular weight of 349.37 g/mol. Its IUPAC name is 2-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-6-(5-methyl-1H-pyrazol-4-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-6-(5-methyl-1H-pyrazol-4-yl)-1,3-benzoxazole
PubChem CID70908537
Molecular FormulaC20H16FN3O2
Molecular Weight349.37 g/mol
Exact Mass349.12
IUPAC Name2-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-6-(5-methyl-1H-pyrazol-4-yl)-1,3-benzoxazole
SMILESCc1[nH]ncc1-c1ccc2nc(C3COc4ccc(F)cc4C3)oc2c1
InChIInChI=1S/C20H16FN3O2/c1-11-16(9-22-24-11)12-2-4-17-19(8-12)26-20(23-17)14-6-13-7-15(21)3-5-18(13)25-10-14/h2-5,7-9,14H,6,10H2,1H3,(H,22,24)
InChIKeyBJJWVTQFRQEUCY-UHFFFAOYSA-N
XLogP4.38
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)benzo[d]oxazole
CID 44563152
2-(3,4-dihydro-2H-chromen-3-yl)-6-(5-methyl-1H-pyrazol-4-yl)benzo[d]oxazole
CID 44563185
1'-(7-methyl-1H-indazole-5-carbonyl)-6-(2-methyl-1,3-oxazol-4-yl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 46884800
1'-(7-methyl-1H-indazole-5-carbonyl)-6-(2-methyl-1,3-oxazol-5-yl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 46884844
4-ethyl-3-[2-[4-(pyridin-3-ylmethoxy)phenyl]-1,3-benzoxazol-6-yl]-4,5-dihydro-1H-pyridazin-6-one
CID 68209612
2-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-1,3-benzoxazole
CID 70908815
N-[2-methyl-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-3-(1H-pyrazol-4-yl)propanamide
CID 50969207
2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-5-(1H-pyrazol-4-yl)-1,3-benzoxazole;2,2,2-trifluoroacetic acid
CID 117075462
2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-1,3-benzoxazole;bis(2,2,2-trifluoroacetic acid)
CID 117075517
(5R)-5-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-1,5,6,8-tetrahydropyrazolo[4,3-g]quinolin-7-one
CID 136743356
1-[4-[4-(1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-3-(4-fluorophenyl)urea
CID 10158640
1-(4-fluorophenyl)-3-[3-[4-(6-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]urea
CID 10224371

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-6-(5-methyl-1H-pyrazol-4-yl)-1,3-benzoxazole?
The IUPAC name of 2-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-6-(5-methyl-1H-pyrazol-4-yl)-1,3-benzoxazole (CID 70908537) is 2-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-6-(5-methyl-1H-pyrazol-4-yl)-1,3-benzoxazole.
What is the SMILES notation for 2-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-6-(5-methyl-1H-pyrazol-4-yl)-1,3-benzoxazole?
The canonical SMILES for 2-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-6-(5-methyl-1H-pyrazol-4-yl)-1,3-benzoxazole is Cc1[nH]ncc1-c1ccc2nc(C3COc4ccc(F)cc4C3)oc2c1.
What is the InChIKey of 2-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-6-(5-methyl-1H-pyrazol-4-yl)-1,3-benzoxazole?
The InChIKey is BJJWVTQFRQEUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O2/c1-11-16(9-22-24-11)12-2-4-17-19(8-12)26-20(23-17)14-6-13-7-15(21)3-5-18(13)25-10-14/h2-5,7-9,14H,6,10H2,1H3,(H,22,24).
What are the key properties of 2-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-6-(5-methyl-1H-pyrazol-4-yl)-1,3-benzoxazole?
2-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-6-(5-methyl-1H-pyrazol-4-yl)-1,3-benzoxazole has a molecular weight of 349.37 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-6-(5-methyl-1H-pyrazol-4-yl)-1,3-benzoxazole is sourced from PubChem (CID 70908537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).