N-[(5-methylfuran-2-yl)methyl]-5-(pyridine-3-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide

C18H16N4O4 — CID 97442835

IUPACN-[(5-methylfuran-2-yl)methyl]-5-(pyridine-3-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide
SMILESCc1ccc(CNC(=O)c2nc3c(o2)CN(C(=O)c2cccnc2)C3)o1
InChIInChI=1S/C18H16N4O4/c1-11-4-5-13(25-11)8-20-16(23)17-21-14-9-22(10-15(14)26-17)18(24)12-3-2-6-19-7-12/h2-7H,8-10H2,1H3,(H,20,23)
InChIKeyWOGSKXUBLWKIFY-UHFFFAOYSA-N
MW352.35 g/mol
LogP2.06
Rot. Bonds4

About N-[(5-methylfuran-2-yl)methyl]-5-(pyridine-3-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide

N-[(5-methylfuran-2-yl)methyl]-5-(pyridine-3-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide (PubChem CID 97442835) has the molecular formula C18H16N4O4 and a molecular weight of 352.35 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]-5-(pyridine-3-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]-5-(pyridine-3-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide
PubChem CID97442835
Molecular FormulaC18H16N4O4
Molecular Weight352.35 g/mol
Exact Mass352.12
IUPAC NameN-[(5-methylfuran-2-yl)methyl]-5-(pyridine-3-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide
SMILESCc1ccc(CNC(=O)c2nc3c(o2)CN(C(=O)c2cccnc2)C3)o1
InChIInChI=1S/C18H16N4O4/c1-11-4-5-13(25-11)8-20-16(23)17-21-14-9-22(10-15(14)26-17)18(24)12-3-2-6-19-7-12/h2-7H,8-10H2,1H3,(H,20,23)
InChIKeyWOGSKXUBLWKIFY-UHFFFAOYSA-N
XLogP2.06
TPSA101.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]-5-(pyridine-3-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-5-(pyridine-3-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide (CID 97442835) is N-[(5-methylfuran-2-yl)methyl]-5-(pyridine-3-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]-5-(pyridine-3-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-5-(pyridine-3-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide is Cc1ccc(CNC(=O)c2nc3c(o2)CN(C(=O)c2cccnc2)C3)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-5-(pyridine-3-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide?
The InChIKey is WOGSKXUBLWKIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O4/c1-11-4-5-13(25-11)8-20-16(23)17-21-14-9-22(10-15(14)26-17)18(24)12-3-2-6-19-7-12/h2-7H,8-10H2,1H3,(H,20,23).
What are the key properties of N-[(5-methylfuran-2-yl)methyl]-5-(pyridine-3-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide?
N-[(5-methylfuran-2-yl)methyl]-5-(pyridine-3-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide has a molecular weight of 352.35 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methyl]-5-(pyridine-3-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide is sourced from PubChem (CID 97442835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).