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

C18H18N4O3 — CID 97442824

IUPACN-[(5-methylfuran-2-yl)methyl]-5-(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide
SMILESCc1ccc(CNC(=O)c2nc3c(o2)CN(Cc2cccnc2)C3)o1
InChIInChI=1S/C18H18N4O3/c1-12-4-5-14(24-12)8-20-17(23)18-21-15-10-22(11-16(15)25-18)9-13-3-2-6-19-7-13/h2-7H,8-11H2,1H3,(H,20,23)
InChIKeyFFDAWHFFCFHUJT-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.42
Rot. Bonds5

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

N-[(5-methylfuran-2-yl)methyl]-5-(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide (PubChem CID 97442824) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]-5-(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]-5-(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide
PubChem CID97442824
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC NameN-[(5-methylfuran-2-yl)methyl]-5-(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide
SMILESCc1ccc(CNC(=O)c2nc3c(o2)CN(Cc2cccnc2)C3)o1
InChIInChI=1S/C18H18N4O3/c1-12-4-5-14(24-12)8-20-17(23)18-21-15-10-22(11-16(15)25-18)9-13-3-2-6-19-7-13/h2-7H,8-11H2,1H3,(H,20,23)
InChIKeyFFDAWHFFCFHUJT-UHFFFAOYSA-N
XLogP2.42
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.42
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-(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-5-(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide (CID 97442824) is N-[(5-methylfuran-2-yl)methyl]-5-(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]-5-(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-5-(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide is Cc1ccc(CNC(=O)c2nc3c(o2)CN(Cc2cccnc2)C3)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-5-(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide?
The InChIKey is FFDAWHFFCFHUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-12-4-5-14(24-12)8-20-17(23)18-21-15-10-22(11-16(15)25-18)9-13-3-2-6-19-7-13/h2-7H,8-11H2,1H3,(H,20,23).
What are the key properties of N-[(5-methylfuran-2-yl)methyl]-5-(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide?
N-[(5-methylfuran-2-yl)methyl]-5-(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 2.42, 5 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-(pyridin-3-ylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide is sourced from PubChem (CID 97442824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).