[2-methyl-5-(4-nitrophenyl)furan-3-yl]-morpholin-4-ylmethanone

C16H16N2O5 — CID 7463824

IUPAC[2-methyl-5-(4-nitrophenyl)furan-3-yl]-morpholin-4-ylmethanone
SMILESCc1oc(-c2ccc([N+](=O)[O-])cc2)cc1C(=O)N1CCOCC1
InChIInChI=1S/C16H16N2O5/c1-11-14(16(19)17-6-8-22-9-7-17)10-15(23-11)12-2-4-13(5-3-12)18(20)21/h2-5,10H,6-9H2,1H3
InChIKeyMVNFULLIHBKSAQ-UHFFFAOYSA-N
MW316.31 g/mol
LogP2.64
Rot. Bonds3

About [2-methyl-5-(4-nitrophenyl)furan-3-yl]-morpholin-4-ylmethanone

[2-methyl-5-(4-nitrophenyl)furan-3-yl]-morpholin-4-ylmethanone (PubChem CID 7463824) has the molecular formula C16H16N2O5 and a molecular weight of 316.31 g/mol. Its IUPAC name is [2-methyl-5-(4-nitrophenyl)furan-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-methyl-5-(4-nitrophenyl)furan-3-yl]-morpholin-4-ylmethanone
PubChem CID7463824
Molecular FormulaC16H16N2O5
Molecular Weight316.31 g/mol
Exact Mass316.11
IUPAC Name[2-methyl-5-(4-nitrophenyl)furan-3-yl]-morpholin-4-ylmethanone
SMILESCc1oc(-c2ccc([N+](=O)[O-])cc2)cc1C(=O)N1CCOCC1
InChIInChI=1S/C16H16N2O5/c1-11-14(16(19)17-6-8-22-9-7-17)10-15(23-11)12-2-4-13(5-3-12)18(20)21/h2-5,10H,6-9H2,1H3
InChIKeyMVNFULLIHBKSAQ-UHFFFAOYSA-N
XLogP2.64
TPSA85.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-5-(4-nitrophenyl)furan-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-methyl-5-(4-nitrophenyl)furan-3-yl]-morpholin-4-ylmethanone (CID 7463824) is [2-methyl-5-(4-nitrophenyl)furan-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-methyl-5-(4-nitrophenyl)furan-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-methyl-5-(4-nitrophenyl)furan-3-yl]-morpholin-4-ylmethanone is Cc1oc(-c2ccc([N+](=O)[O-])cc2)cc1C(=O)N1CCOCC1.
What is the InChIKey of [2-methyl-5-(4-nitrophenyl)furan-3-yl]-morpholin-4-ylmethanone?
The InChIKey is MVNFULLIHBKSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5/c1-11-14(16(19)17-6-8-22-9-7-17)10-15(23-11)12-2-4-13(5-3-12)18(20)21/h2-5,10H,6-9H2,1H3.
What are the key properties of [2-methyl-5-(4-nitrophenyl)furan-3-yl]-morpholin-4-ylmethanone?
[2-methyl-5-(4-nitrophenyl)furan-3-yl]-morpholin-4-ylmethanone has a molecular weight of 316.31 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-5-(4-nitrophenyl)furan-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 7463824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).