N-[4-(1,3-benzoxazol-2-yl)phenyl]oxolane-2-carboxamide

C18H16N2O3 — CID 2941074

IUPACN-[4-(1,3-benzoxazol-2-yl)phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3o2)cc1)C1CCCO1
InChIInChI=1S/C18H16N2O3/c21-17(16-6-3-11-22-16)19-13-9-7-12(8-10-13)18-20-14-4-1-2-5-15(14)23-18/h1-2,4-5,7-10,16H,3,6,11H2,(H,19,21)
InChIKeyFTCRAAUOPMIEPT-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.61
Rot. Bonds3

About N-[4-(1,3-benzoxazol-2-yl)phenyl]oxolane-2-carboxamide

N-[4-(1,3-benzoxazol-2-yl)phenyl]oxolane-2-carboxamide (PubChem CID 2941074) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-[4-(1,3-benzoxazol-2-yl)phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[4-(1,3-benzoxazol-2-yl)phenyl]oxolane-2-carboxamide
PubChem CID2941074
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC NameN-[4-(1,3-benzoxazol-2-yl)phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3o2)cc1)C1CCCO1
InChIInChI=1S/C18H16N2O3/c21-17(16-6-3-11-22-16)19-13-9-7-12(8-10-13)18-20-14-4-1-2-5-15(14)23-18/h1-2,4-5,7-10,16H,3,6,11H2,(H,19,21)
InChIKeyFTCRAAUOPMIEPT-UHFFFAOYSA-N
XLogP3.61
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzoxazol-2-yl)phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[4-(1,3-benzoxazol-2-yl)phenyl]oxolane-2-carboxamide (CID 2941074) is N-[4-(1,3-benzoxazol-2-yl)phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[4-(1,3-benzoxazol-2-yl)phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[4-(1,3-benzoxazol-2-yl)phenyl]oxolane-2-carboxamide is O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)C1CCCO1.
What is the InChIKey of N-[4-(1,3-benzoxazol-2-yl)phenyl]oxolane-2-carboxamide?
The InChIKey is FTCRAAUOPMIEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c21-17(16-6-3-11-22-16)19-13-9-7-12(8-10-13)18-20-14-4-1-2-5-15(14)23-18/h1-2,4-5,7-10,16H,3,6,11H2,(H,19,21).
What are the key properties of N-[4-(1,3-benzoxazol-2-yl)phenyl]oxolane-2-carboxamide?
N-[4-(1,3-benzoxazol-2-yl)phenyl]oxolane-2-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzoxazol-2-yl)phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 2941074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).