1-[1-(2-fluorophenyl)indazol-4-yl]-3-(1,3-oxazol-4-ylmethyl)-1,3-diazinan-2-one

C21H18FN5O2 — CID 118937788

IUPAC1-[1-(2-fluorophenyl)indazol-4-yl]-3-(1,3-oxazol-4-ylmethyl)-1,3-diazinan-2-one
SMILESO=C1N(Cc2cocn2)CCCN1c1cccc2c1cnn2-c1ccccc1F
InChIInChI=1S/C21H18FN5O2/c22-17-5-1-2-6-20(17)27-19-8-3-7-18(16(19)11-24-27)26-10-4-9-25(21(26)28)12-15-13-29-14-23-15/h1-3,5-8,11,13-14H,4,9-10,12H2
InChIKeyLZFUAAATONEQTP-UHFFFAOYSA-N
MW391.41 g/mol
LogP3.98
Rot. Bonds4

About 1-[1-(2-fluorophenyl)indazol-4-yl]-3-(1,3-oxazol-4-ylmethyl)-1,3-diazinan-2-one

1-[1-(2-fluorophenyl)indazol-4-yl]-3-(1,3-oxazol-4-ylmethyl)-1,3-diazinan-2-one (PubChem CID 118937788) has the molecular formula C21H18FN5O2 and a molecular weight of 391.41 g/mol. Its IUPAC name is 1-[1-(2-fluorophenyl)indazol-4-yl]-3-(1,3-oxazol-4-ylmethyl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-[1-(2-fluorophenyl)indazol-4-yl]-3-(1,3-oxazol-4-ylmethyl)-1,3-diazinan-2-one
PubChem CID118937788
Molecular FormulaC21H18FN5O2
Molecular Weight391.41 g/mol
Exact Mass391.14
IUPAC Name1-[1-(2-fluorophenyl)indazol-4-yl]-3-(1,3-oxazol-4-ylmethyl)-1,3-diazinan-2-one
SMILESO=C1N(Cc2cocn2)CCCN1c1cccc2c1cnn2-c1ccccc1F
InChIInChI=1S/C21H18FN5O2/c22-17-5-1-2-6-20(17)27-19-8-3-7-18(16(19)11-24-27)26-10-4-9-25(21(26)28)12-15-13-29-14-23-15/h1-3,5-8,11,13-14H,4,9-10,12H2
InChIKeyLZFUAAATONEQTP-UHFFFAOYSA-N
XLogP3.98
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.41
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[1-(2-fluorophenyl)indazol-4-yl]-3-(1,3-oxazol-4-ylmethyl)-1,3-diazinan-2-one with MolForge

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Related Compounds

1-[1-(2-fluorophenyl)-1H-indazol-4-yl]-3-(1,3-oxazol-2-ylmethyl)imidazolidin-2-one
CID 118937646
1-[1-(2,4-difluorophenyl)-1H-indazol-4-yl]-3-(1,3-oxazol-4-ylmethyl)imidazolidin-2-one
CID 118937529
US9783527, Example 227
CID 118937560
1-[1-(2,4-difluorophenyl)-1H-indazol-4-yl]-3-(1,3-oxazol-2-ylmethyl)imidazolidin-2-one
CID 118937617
US9783527, Example 247
CID 118937647
1-[(4,5-Dimethyl-1,3-
CID 118937718
US9783527, Example 237
CID 118937727
1-[1-(2-fluorophenyl)-1H-indazol-4-yl]-3-(1,3-oxazol-4-ylmethyl)imidazolidin-2-one
CID 118937782
US9783527, Example 12
CID 138961758
ALP-POS-ced8ea4d-8
CID 156906586
4-[[6-[3-(Trifluoromethyl)phenyl]pyrazolo[4,3-b]pyridin-1-yl]methyl]-1,3-oxazole
CID 155399885
US9783527, Example 72
CID 118937568

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluorophenyl)indazol-4-yl]-3-(1,3-oxazol-4-ylmethyl)-1,3-diazinan-2-one?
The IUPAC name of 1-[1-(2-fluorophenyl)indazol-4-yl]-3-(1,3-oxazol-4-ylmethyl)-1,3-diazinan-2-one (CID 118937788) is 1-[1-(2-fluorophenyl)indazol-4-yl]-3-(1,3-oxazol-4-ylmethyl)-1,3-diazinan-2-one.
What is the SMILES notation for 1-[1-(2-fluorophenyl)indazol-4-yl]-3-(1,3-oxazol-4-ylmethyl)-1,3-diazinan-2-one?
The canonical SMILES for 1-[1-(2-fluorophenyl)indazol-4-yl]-3-(1,3-oxazol-4-ylmethyl)-1,3-diazinan-2-one is O=C1N(Cc2cocn2)CCCN1c1cccc2c1cnn2-c1ccccc1F.
What is the InChIKey of 1-[1-(2-fluorophenyl)indazol-4-yl]-3-(1,3-oxazol-4-ylmethyl)-1,3-diazinan-2-one?
The InChIKey is LZFUAAATONEQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O2/c22-17-5-1-2-6-20(17)27-19-8-3-7-18(16(19)11-24-27)26-10-4-9-25(21(26)28)12-15-13-29-14-23-15/h1-3,5-8,11,13-14H,4,9-10,12H2.
What are the key properties of 1-[1-(2-fluorophenyl)indazol-4-yl]-3-(1,3-oxazol-4-ylmethyl)-1,3-diazinan-2-one?
1-[1-(2-fluorophenyl)indazol-4-yl]-3-(1,3-oxazol-4-ylmethyl)-1,3-diazinan-2-one has a molecular weight of 391.41 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluorophenyl)indazol-4-yl]-3-(1,3-oxazol-4-ylmethyl)-1,3-diazinan-2-one is sourced from PubChem (CID 118937788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).