1-(4-fluorophenyl)-3-[(3R)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-yl]urea

C19H19FN6O2 — CID 95781588

IUPAC1-(4-fluorophenyl)-3-[(3R)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-yl]urea
SMILESCc1noc(-c2cccnc2N2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)n1
InChIInChI=1S/C19H19FN6O2/c1-12-22-18(28-25-12)16-3-2-9-21-17(16)26-10-8-15(11-26)24-19(27)23-14-6-4-13(20)5-7-14/h2-7,9,15H,8,10-11H2,1H3,(H2,23,24,27)/t15-/m1/s1
InChIKeyNRAPXFVQYSDDKY-OAHLLOKOSA-N
MW382.40 g/mol
LogP2.98
Rot. Bonds4

About 1-(4-fluorophenyl)-3-[(3R)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-yl]urea

1-(4-fluorophenyl)-3-[(3R)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-yl]urea (PubChem CID 95781588) has the molecular formula C19H19FN6O2 and a molecular weight of 382.40 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[(3R)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[(3R)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-yl]urea
PubChem CID95781588
Molecular FormulaC19H19FN6O2
Molecular Weight382.40 g/mol
Exact Mass382.16
IUPAC Name1-(4-fluorophenyl)-3-[(3R)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-yl]urea
SMILESCc1noc(-c2cccnc2N2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)n1
InChIInChI=1S/C19H19FN6O2/c1-12-22-18(28-25-12)16-3-2-9-21-17(16)26-10-8-15(11-26)24-19(27)23-14-6-4-13(20)5-7-14/h2-7,9,15H,8,10-11H2,1H3,(H2,23,24,27)/t15-/m1/s1
InChIKeyNRAPXFVQYSDDKY-OAHLLOKOSA-N
XLogP2.98
TPSA96.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3R)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-yl]cyclopropanecarboxamide
CID 97042284
N-[1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-yl]furan-3-carboxamide
CID 71794521
1-methyl-N-[1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]pyrrole-2-carboxamide
CID 71794649
[1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 75374153
1-[1-(3-chloroisoquinolin-1-yl)pyrrolidin-3-yl]-3-(4-fluorophenyl)urea
CID 154878520
3-methyl-5-[2-(3-pyridin-2-yloxypyrrolidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole
CID 75382035
N-[(3S)-1-(2,6-difluorophenyl)pyrrolidin-3-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 97055674
1-(4-fluorophenyl)-3-[(3S)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-yl]urea
CID 94818794
(2S)-2-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide
CID 97308419
3-methyl-5-[2-[4-(3-methylbutyl)piperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole
CID 133380752
1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 133319012
1-[(3R)-1-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea
CID 100839495

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[(3R)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-yl]urea?
The IUPAC name of 1-(4-fluorophenyl)-3-[(3R)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-yl]urea (CID 95781588) is 1-(4-fluorophenyl)-3-[(3R)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-yl]urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[(3R)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-yl]urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-[(3R)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-yl]urea is Cc1noc(-c2cccnc2N2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)n1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[(3R)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-yl]urea?
The InChIKey is NRAPXFVQYSDDKY-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H19FN6O2/c1-12-22-18(28-25-12)16-3-2-9-21-17(16)26-10-8-15(11-26)24-19(27)23-14-6-4-13(20)5-7-14/h2-7,9,15H,8,10-11H2,1H3,(H2,23,24,27)/t15-/m1/s1.
What are the key properties of 1-(4-fluorophenyl)-3-[(3R)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-yl]urea?
1-(4-fluorophenyl)-3-[(3R)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-yl]urea has a molecular weight of 382.40 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[(3R)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-yl]urea is sourced from PubChem (CID 95781588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).