(5R)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-pyridin-4-yl-4,5-dihydro-1,2-oxazole-5-carboxamide

C19H17FN4O2 — CID 124849360

IUPAC(5R)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-pyridin-4-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NCCc1c[nH]c2ccc(F)cc12)[C@H]1CC(c2ccncc2)=NO1
InChIInChI=1S/C19H17FN4O2/c20-14-1-2-16-15(9-14)13(11-23-16)5-8-22-19(25)18-10-17(24-26-18)12-3-6-21-7-4-12/h1-4,6-7,9,11,18,23H,5,8,10H2,(H,22,25)/t18-/m1/s1
InChIKeyONXJKONMLQUKLG-GOSISDBHSA-N
MW352.37 g/mol
LogP2.55
Rot. Bonds5

About (5R)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-pyridin-4-yl-4,5-dihydro-1,2-oxazole-5-carboxamide

(5R)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-pyridin-4-yl-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 124849360) has the molecular formula C19H17FN4O2 and a molecular weight of 352.37 g/mol. Its IUPAC name is (5R)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-pyridin-4-yl-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5R)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-pyridin-4-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID124849360
Molecular FormulaC19H17FN4O2
Molecular Weight352.37 g/mol
Exact Mass352.13
IUPAC Name(5R)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-pyridin-4-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NCCc1c[nH]c2ccc(F)cc12)[C@H]1CC(c2ccncc2)=NO1
InChIInChI=1S/C19H17FN4O2/c20-14-1-2-16-15(9-14)13(11-23-16)5-8-22-19(25)18-10-17(24-26-18)12-3-6-21-7-4-12/h1-4,6-7,9,11,18,23H,5,8,10H2,(H,22,25)/t18-/m1/s1
InChIKeyONXJKONMLQUKLG-GOSISDBHSA-N
XLogP2.55
TPSA79.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(5-fluoro-1H-indol-3-yl)ethyl]oxolane-2-carboxamide
CID 110731466
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]cyclohexanecarboxamide
CID 113083574
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-hydroxycyclopentane-1-carboxamide
CID 110014659
(5R)-N-butyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40503762
(5S)-3-(4-fluorophenyl)-N-(2-methoxyethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 7462862
methyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate
CID 110731487
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 110731484
3-(4-fluorophenyl)-N-(3-pyrazol-1-ylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19493513
(5S)-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 94669806
1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(4-hydroxycyclohexyl)urea
CID 111423653
1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(3-hydroxypropyl)urea
CID 111424366
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 113083594

Frequently Asked Questions

What is the IUPAC name of (5R)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-pyridin-4-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of (5R)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-pyridin-4-yl-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 124849360) is (5R)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-pyridin-4-yl-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5R)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-pyridin-4-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5R)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-pyridin-4-yl-4,5-dihydro-1,2-oxazole-5-carboxamide is O=C(NCCc1c[nH]c2ccc(F)cc12)[C@H]1CC(c2ccncc2)=NO1.
What is the InChIKey of (5R)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-pyridin-4-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is ONXJKONMLQUKLG-GOSISDBHSA-N. The full InChI is InChI=1S/C19H17FN4O2/c20-14-1-2-16-15(9-14)13(11-23-16)5-8-22-19(25)18-10-17(24-26-18)12-3-6-21-7-4-12/h1-4,6-7,9,11,18,23H,5,8,10H2,(H,22,25)/t18-/m1/s1.
What are the key properties of (5R)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-pyridin-4-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
(5R)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-pyridin-4-yl-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 352.37 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-pyridin-4-yl-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 124849360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).