N-(furan-2-ylmethyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide

C16H12N2O4 — CID 46271745

IUPACN-(furan-2-ylmethyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
SMILESO=C(NCc1ccco1)c1noc2c1COc1ccccc1-2
InChIInChI=1S/C16H12N2O4/c19-16(17-8-10-4-3-7-20-10)14-12-9-21-13-6-2-1-5-11(13)15(12)22-18-14/h1-7H,8-9H2,(H,17,19)
InChIKeyLTSJAFUKUFTHTI-UHFFFAOYSA-N
MW296.28 g/mol
LogP2.76
Rot. Bonds3

About N-(furan-2-ylmethyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide

N-(furan-2-ylmethyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide (PubChem CID 46271745) has the molecular formula C16H12N2O4 and a molecular weight of 296.28 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
PubChem CID46271745
Molecular FormulaC16H12N2O4
Molecular Weight296.28 g/mol
Exact Mass296.08
IUPAC NameN-(furan-2-ylmethyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
SMILESO=C(NCc1ccco1)c1noc2c1COc1ccccc1-2
InChIInChI=1S/C16H12N2O4/c19-16(17-8-10-4-3-7-20-10)14-12-9-21-13-6-2-1-5-11(13)15(12)22-18-14/h1-7H,8-9H2,(H,17,19)
InChIKeyLTSJAFUKUFTHTI-UHFFFAOYSA-N
XLogP2.76
TPSA77.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide (CID 46271745) is N-(furan-2-ylmethyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide is O=C(NCc1ccco1)c1noc2c1COc1ccccc1-2.
What is the InChIKey of N-(furan-2-ylmethyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide?
The InChIKey is LTSJAFUKUFTHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O4/c19-16(17-8-10-4-3-7-20-10)14-12-9-21-13-6-2-1-5-11(13)15(12)22-18-14/h1-7H,8-9H2,(H,17,19).
What are the key properties of N-(furan-2-ylmethyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide?
N-(furan-2-ylmethyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide has a molecular weight of 296.28 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide is sourced from PubChem (CID 46271745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).