1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-[1,3]oxazolo[5,4-b]pyridin-2-one

C19H21FN4O2 — CID 3074813

IUPAC1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-[1,3]oxazolo[5,4-b]pyridin-2-one
SMILESO=c1oc2ncccc2n1CCCN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H21FN4O2/c20-15-4-6-16(7-5-15)23-13-11-22(12-14-23)9-2-10-24-17-3-1-8-21-18(17)26-19(24)25/h1,3-8H,2,9-14H2
InChIKeyLGJQDEWBYUIPAE-UHFFFAOYSA-N
MW356.40 g/mol
LogP2.34
Rot. Bonds5

About 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-[1,3]oxazolo[5,4-b]pyridin-2-one

1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-[1,3]oxazolo[5,4-b]pyridin-2-one (PubChem CID 3074813) has the molecular formula C19H21FN4O2 and a molecular weight of 356.40 g/mol. Its IUPAC name is 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-[1,3]oxazolo[5,4-b]pyridin-2-one.

Molecular Properties

Compound Name1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-[1,3]oxazolo[5,4-b]pyridin-2-one
PubChem CID3074813
Molecular FormulaC19H21FN4O2
Molecular Weight356.40 g/mol
Exact Mass356.16
IUPAC Name1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-[1,3]oxazolo[5,4-b]pyridin-2-one
SMILESO=c1oc2ncccc2n1CCCN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H21FN4O2/c20-15-4-6-16(7-5-15)23-13-11-22(12-14-23)9-2-10-24-17-3-1-8-21-18(17)26-19(24)25/h1,3-8H,2,9-14H2
InChIKeyLGJQDEWBYUIPAE-UHFFFAOYSA-N
XLogP2.34
TPSA54.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-[1,3]oxazolo[5,4-b]pyridin-2-one with MolForge

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Related Compounds

1-(3-morpholin-4-ylpropyl)-[1,3]oxazolo[5,4-b]pyridin-2-one
CID 10084115
1-(2-morpholin-4-ylethyl)-[1,3]oxazolo[5,4-b]pyridin-2-one
CID 10037683
1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-[1,3]oxazolo[5,4-b]pyridin-2-one
CID 10066711
1-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]-[1,3]oxazolo[5,4-b]pyridin-2-one
CID 10429498
1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3-methylquinoxalin-2-one
CID 139617104
1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-(pyridin-2-ylmethyl)piperazine-2,6-dione
CID 14098744
3-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]butyl]-1,3-benzoxazol-2-one
CID 122367613
1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]pyrrole-2,5-diol
CID 54223521
1-(4-fluorophenyl)-4-[2-(triazol-1-yl)ethyl]piperazine;hydrochloride
CID 142648014
3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-one
CID 10786275
4-[3-[4-(4-fluorophenyl)piperazin-1-yl]propylamino]-2-methylpyridazin-3-one
CID 19817590
1-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]quinoxalin-2-one
CID 139617076

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-[1,3]oxazolo[5,4-b]pyridin-2-one?
The IUPAC name of 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-[1,3]oxazolo[5,4-b]pyridin-2-one (CID 3074813) is 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-[1,3]oxazolo[5,4-b]pyridin-2-one.
What is the SMILES notation for 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-[1,3]oxazolo[5,4-b]pyridin-2-one?
The canonical SMILES for 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-[1,3]oxazolo[5,4-b]pyridin-2-one is O=c1oc2ncccc2n1CCCN1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-[1,3]oxazolo[5,4-b]pyridin-2-one?
The InChIKey is LGJQDEWBYUIPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O2/c20-15-4-6-16(7-5-15)23-13-11-22(12-14-23)9-2-10-24-17-3-1-8-21-18(17)26-19(24)25/h1,3-8H,2,9-14H2.
What are the key properties of 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-[1,3]oxazolo[5,4-b]pyridin-2-one?
1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-[1,3]oxazolo[5,4-b]pyridin-2-one has a molecular weight of 356.40 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-[1,3]oxazolo[5,4-b]pyridin-2-one is sourced from PubChem (CID 3074813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).