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

C18H17N5O2 — CID 97442819

IUPACN,5-bis(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide
SMILESO=C(NCc1cccnc1)c1nc2c(o1)CN(Cc1cccnc1)C2
InChIInChI=1S/C18H17N5O2/c24-17(21-9-13-3-1-5-19-7-13)18-22-15-11-23(12-16(15)25-18)10-14-4-2-6-20-8-14/h1-8H,9-12H2,(H,21,24)
InChIKeyHJNILDWWMXGAOS-UHFFFAOYSA-N
MW335.37 g/mol
LogP1.91
Rot. Bonds5

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

N,5-bis(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide (PubChem CID 97442819) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is N,5-bis(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide.

Molecular Properties

Compound NameN,5-bis(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide
PubChem CID97442819
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC NameN,5-bis(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide
SMILESO=C(NCc1cccnc1)c1nc2c(o1)CN(Cc1cccnc1)C2
InChIInChI=1S/C18H17N5O2/c24-17(21-9-13-3-1-5-19-7-13)18-22-15-11-23(12-16(15)25-18)10-14-4-2-6-20-8-14/h1-8H,9-12H2,(H,21,24)
InChIKeyHJNILDWWMXGAOS-UHFFFAOYSA-N
XLogP1.91
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-methylfuran-2-yl)methyl]-5-(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide
CID 97442824
5-bromo-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 750404
2,3,5,6-tetrafluoro-1-N,4-N-bis(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 1204787
2-[(4-benzylpiperazin-1-yl)methyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 46056119
2-(ethoxymethyl)-N-(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-5-carboxamide
CID 97413690
3-[(4-nitropyrazol-1-yl)methyl]-N-(pyridin-3-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 5297003
5-phenyl-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
CID 22431716
N-(pyridin-3-ylmethyl)-2-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 1279662
N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 110755498
1-benzyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 3404052
5-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392260
1-benzyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 27554728

Frequently Asked Questions

What is the IUPAC name of N,5-bis(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide?
The IUPAC name of N,5-bis(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide (CID 97442819) is N,5-bis(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide.
What is the SMILES notation for N,5-bis(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide?
The canonical SMILES for N,5-bis(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide is O=C(NCc1cccnc1)c1nc2c(o1)CN(Cc1cccnc1)C2.
What is the InChIKey of N,5-bis(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide?
The InChIKey is HJNILDWWMXGAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c24-17(21-9-13-3-1-5-19-7-13)18-22-15-11-23(12-16(15)25-18)10-14-4-2-6-20-8-14/h1-8H,9-12H2,(H,21,24).
What are the key properties of N,5-bis(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide?
N,5-bis(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide has a molecular weight of 335.37 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-bis(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide is sourced from PubChem (CID 97442819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).