N-[(3-fluorophenyl)methyl]-5-(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide

C19H17FN4O2 — CID 97442818

IUPACN-[(3-fluorophenyl)methyl]-5-(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide
SMILESO=C(NCc1cccc(F)c1)c1nc2c(o1)CN(Cc1cccnc1)C2
InChIInChI=1S/C19H17FN4O2/c20-15-5-1-3-13(7-15)9-22-18(25)19-23-16-11-24(12-17(16)26-19)10-14-4-2-6-21-8-14/h1-8H,9-12H2,(H,22,25)
InChIKeyAGOGHQMEBIJAIK-UHFFFAOYSA-N
MW352.37 g/mol
LogP2.65
Rot. Bonds5

About N-[(3-fluorophenyl)methyl]-5-(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide

N-[(3-fluorophenyl)methyl]-5-(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide (PubChem CID 97442818) has the molecular formula C19H17FN4O2 and a molecular weight of 352.37 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-5-(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-5-(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide
PubChem CID97442818
Molecular FormulaC19H17FN4O2
Molecular Weight352.37 g/mol
Exact Mass352.13
IUPAC NameN-[(3-fluorophenyl)methyl]-5-(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide
SMILESO=C(NCc1cccc(F)c1)c1nc2c(o1)CN(Cc1cccnc1)C2
InChIInChI=1S/C19H17FN4O2/c20-15-5-1-3-13(7-15)9-22-18(25)19-23-16-11-24(12-17(16)26-19)10-14-4-2-6-21-8-14/h1-8H,9-12H2,(H,22,25)
InChIKeyAGOGHQMEBIJAIK-UHFFFAOYSA-N
XLogP2.65
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-5-(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-5-(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide (CID 97442818) is N-[(3-fluorophenyl)methyl]-5-(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-5-(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-5-(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide is O=C(NCc1cccc(F)c1)c1nc2c(o1)CN(Cc1cccnc1)C2.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-5-(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide?
The InChIKey is AGOGHQMEBIJAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2/c20-15-5-1-3-13(7-15)9-22-18(25)19-23-16-11-24(12-17(16)26-19)10-14-4-2-6-21-8-14/h1-8H,9-12H2,(H,22,25).
What are the key properties of N-[(3-fluorophenyl)methyl]-5-(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide?
N-[(3-fluorophenyl)methyl]-5-(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide has a molecular weight of 352.37 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-5-(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide is sourced from PubChem (CID 97442818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).