N-[2-(furan-2-yl)-2-hydroxyethyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide

C15H14N2O5 — CID 78868898

IUPACN-[2-(furan-2-yl)-2-hydroxyethyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
SMILESO=C1COc2cc(C(=O)NCC(O)c3ccco3)ccc2N1
InChIInChI=1S/C15H14N2O5/c18-11(12-2-1-5-21-12)7-16-15(20)9-3-4-10-13(6-9)22-8-14(19)17-10/h1-6,11,18H,7-8H2,(H,16,20)(H,17,19)
InChIKeyKJCTYJBRFMUQEA-UHFFFAOYSA-N
MW302.29 g/mol
LogP1.07
Rot. Bonds4

About N-[2-(furan-2-yl)-2-hydroxyethyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide

N-[2-(furan-2-yl)-2-hydroxyethyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide (PubChem CID 78868898) has the molecular formula C15H14N2O5 and a molecular weight of 302.29 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-hydroxyethyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-hydroxyethyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
PubChem CID78868898
Molecular FormulaC15H14N2O5
Molecular Weight302.29 g/mol
Exact Mass302.09
IUPAC NameN-[2-(furan-2-yl)-2-hydroxyethyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
SMILESO=C1COc2cc(C(=O)NCC(O)c3ccco3)ccc2N1
InChIInChI=1S/C15H14N2O5/c18-11(12-2-1-5-21-12)7-16-15(20)9-3-4-10-13(6-9)22-8-14(19)17-10/h1-6,11,18H,7-8H2,(H,16,20)(H,17,19)
InChIKeyKJCTYJBRFMUQEA-UHFFFAOYSA-N
XLogP1.07
TPSA100.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-hydroxyethyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide?
The IUPAC name of N-[2-(furan-2-yl)-2-hydroxyethyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide (CID 78868898) is N-[2-(furan-2-yl)-2-hydroxyethyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-hydroxyethyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-hydroxyethyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide is O=C1COc2cc(C(=O)NCC(O)c3ccco3)ccc2N1.
What is the InChIKey of N-[2-(furan-2-yl)-2-hydroxyethyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide?
The InChIKey is KJCTYJBRFMUQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O5/c18-11(12-2-1-5-21-12)7-16-15(20)9-3-4-10-13(6-9)22-8-14(19)17-10/h1-6,11,18H,7-8H2,(H,16,20)(H,17,19).
What are the key properties of N-[2-(furan-2-yl)-2-hydroxyethyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide?
N-[2-(furan-2-yl)-2-hydroxyethyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide has a molecular weight of 302.29 g/mol, XLogP of 1.07, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-hydroxyethyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide is sourced from PubChem (CID 78868898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).