N-[1-(1,3-benzoxazol-2-yl)ethyl]-2H-chromene-3-carboxamide

C19H16N2O3 — CID 110278878

IUPACN-[1-(1,3-benzoxazol-2-yl)ethyl]-2H-chromene-3-carboxamide
SMILESCC(NC(=O)C1=Cc2ccccc2OC1)c1nc2ccccc2o1
InChIInChI=1S/C19H16N2O3/c1-12(19-21-15-7-3-5-9-17(15)24-19)20-18(22)14-10-13-6-2-4-8-16(13)23-11-14/h2-10,12H,11H2,1H3,(H,20,22)
InChIKeyLFDLSMBCWNMLLA-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.48
Rot. Bonds3

About N-[1-(1,3-benzoxazol-2-yl)ethyl]-2H-chromene-3-carboxamide

N-[1-(1,3-benzoxazol-2-yl)ethyl]-2H-chromene-3-carboxamide (PubChem CID 110278878) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is N-[1-(1,3-benzoxazol-2-yl)ethyl]-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[1-(1,3-benzoxazol-2-yl)ethyl]-2H-chromene-3-carboxamide
PubChem CID110278878
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC NameN-[1-(1,3-benzoxazol-2-yl)ethyl]-2H-chromene-3-carboxamide
SMILESCC(NC(=O)C1=Cc2ccccc2OC1)c1nc2ccccc2o1
InChIInChI=1S/C19H16N2O3/c1-12(19-21-15-7-3-5-9-17(15)24-19)20-18(22)14-10-13-6-2-4-8-16(13)23-11-14/h2-10,12H,11H2,1H3,(H,20,22)
InChIKeyLFDLSMBCWNMLLA-UHFFFAOYSA-N
XLogP3.48
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzoxazol-2-yl)ethyl]-2H-chromene-3-carboxamide?
The IUPAC name of N-[1-(1,3-benzoxazol-2-yl)ethyl]-2H-chromene-3-carboxamide (CID 110278878) is N-[1-(1,3-benzoxazol-2-yl)ethyl]-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[1-(1,3-benzoxazol-2-yl)ethyl]-2H-chromene-3-carboxamide?
The canonical SMILES for N-[1-(1,3-benzoxazol-2-yl)ethyl]-2H-chromene-3-carboxamide is CC(NC(=O)C1=Cc2ccccc2OC1)c1nc2ccccc2o1.
What is the InChIKey of N-[1-(1,3-benzoxazol-2-yl)ethyl]-2H-chromene-3-carboxamide?
The InChIKey is LFDLSMBCWNMLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c1-12(19-21-15-7-3-5-9-17(15)24-19)20-18(22)14-10-13-6-2-4-8-16(13)23-11-14/h2-10,12H,11H2,1H3,(H,20,22).
What are the key properties of N-[1-(1,3-benzoxazol-2-yl)ethyl]-2H-chromene-3-carboxamide?
N-[1-(1,3-benzoxazol-2-yl)ethyl]-2H-chromene-3-carboxamide has a molecular weight of 320.35 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-benzoxazol-2-yl)ethyl]-2H-chromene-3-carboxamide is sourced from PubChem (CID 110278878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).