N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]furan-2-carboxamide

C19H14N2O4 — CID 1497032

IUPACN-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]furan-2-carboxamide
SMILESCOc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1ccco1
InChIInChI=1S/C19H14N2O4/c1-23-15-9-8-12(19-21-13-5-2-3-6-16(13)25-19)11-14(15)20-18(22)17-7-4-10-24-17/h2-11H,1H3,(H,20,22)
InChIKeyZHHUXZBFVUOAFA-UHFFFAOYSA-N
MW334.33 g/mol
LogP4.35
Rot. Bonds4

About N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]furan-2-carboxamide

N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]furan-2-carboxamide (PubChem CID 1497032) has the molecular formula C19H14N2O4 and a molecular weight of 334.33 g/mol. Its IUPAC name is N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]furan-2-carboxamide
PubChem CID1497032
Molecular FormulaC19H14N2O4
Molecular Weight334.33 g/mol
Exact Mass334.10
IUPAC NameN-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]furan-2-carboxamide
SMILESCOc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1ccco1
InChIInChI=1S/C19H14N2O4/c1-23-15-9-8-12(19-21-13-5-2-3-6-16(13)25-19)11-14(15)20-18(22)17-7-4-10-24-17/h2-11H,1H3,(H,20,22)
InChIKeyZHHUXZBFVUOAFA-UHFFFAOYSA-N
XLogP4.35
TPSA77.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]furan-2-carboxamide?
The IUPAC name of N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]furan-2-carboxamide (CID 1497032) is N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]furan-2-carboxamide.
What is the SMILES notation for N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]furan-2-carboxamide?
The canonical SMILES for N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]furan-2-carboxamide is COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1ccco1.
What is the InChIKey of N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]furan-2-carboxamide?
The InChIKey is ZHHUXZBFVUOAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O4/c1-23-15-9-8-12(19-21-13-5-2-3-6-16(13)25-19)11-14(15)20-18(22)17-7-4-10-24-17/h2-11H,1H3,(H,20,22).
What are the key properties of N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]furan-2-carboxamide?
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]furan-2-carboxamide has a molecular weight of 334.33 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]furan-2-carboxamide is sourced from PubChem (CID 1497032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).