2-[4-(1,3-benzodioxol-5-yl)phenyl]-1,3-benzoxazole-7-carboxamide

C21H14N2O4 — CID 46847383

IUPAC2-[4-(1,3-benzodioxol-5-yl)phenyl]-1,3-benzoxazole-7-carboxamide
SMILESNC(=O)c1cccc2nc(-c3ccc(-c4ccc5c(c4)OCO5)cc3)oc12
InChIInChI=1S/C21H14N2O4/c22-20(24)15-2-1-3-16-19(15)27-21(23-16)13-6-4-12(5-7-13)14-8-9-17-18(10-14)26-11-25-17/h1-10H,11H2,(H2,22,24)
InChIKeyUTRXDNZZDVXJCI-UHFFFAOYSA-N
MW358.35 g/mol
LogP3.99
Rot. Bonds3

About 2-[4-(1,3-benzodioxol-5-yl)phenyl]-1,3-benzoxazole-7-carboxamide

2-[4-(1,3-benzodioxol-5-yl)phenyl]-1,3-benzoxazole-7-carboxamide (PubChem CID 46847383) has the molecular formula C21H14N2O4 and a molecular weight of 358.35 g/mol. Its IUPAC name is 2-[4-(1,3-benzodioxol-5-yl)phenyl]-1,3-benzoxazole-7-carboxamide.

Molecular Properties

Compound Name2-[4-(1,3-benzodioxol-5-yl)phenyl]-1,3-benzoxazole-7-carboxamide
PubChem CID46847383
Molecular FormulaC21H14N2O4
Molecular Weight358.35 g/mol
Exact Mass358.10
IUPAC Name2-[4-(1,3-benzodioxol-5-yl)phenyl]-1,3-benzoxazole-7-carboxamide
SMILESNC(=O)c1cccc2nc(-c3ccc(-c4ccc5c(c4)OCO5)cc3)oc12
InChIInChI=1S/C21H14N2O4/c22-20(24)15-2-1-3-16-19(15)27-21(23-16)13-6-4-12(5-7-13)14-8-9-17-18(10-14)26-11-25-17/h1-10H,11H2,(H2,22,24)
InChIKeyUTRXDNZZDVXJCI-UHFFFAOYSA-N
XLogP3.99
TPSA87.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(1,3-benzodioxol-5-yl)phenyl]-1,3-benzoxazole-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(1H-pyrazol-5-yl)phenyl]-1,3-benzoxazole-7-carboxamide
CID 46847384
2-(3-piperidin-4-ylphenyl)-1,3-benzoxazole-7-carboxamide
CID 66621388
2-(1,3-benzodioxol-5-yl)quinoline-4-carboxylic acid;phenylmethanamine
CID 19715615
2-[2-(1,3-benzodioxol-5-yl)quinolin-4-yl]acetic acid
CID 91665266
2-acetyl-1,3-benzoxazole-7-carboxamide
CID 119020331
2-(1,3-benzodioxol-5-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide
CID 41107745
2-(1,3-benzodioxol-5-yl)benzoate
CID 7022485
4-amino-8-(1,3-benzodioxol-5-yl)cinnoline-3-carboxamide
CID 59791574
methyl 2-(4-nitrophenyl)-1,3-benzoxazole-7-carboxylate
CID 12000588
5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-pyrazole-4-carboxylic acid
CID 28948711
2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[3-(1,3-benzodioxol-5-yl)anilino]pyrimidine-5-carboxamide
CID 57472051
5-amino-2-(3-bromophenyl)-1,3-benzoxazole-7-carboxamide
CID 95911730

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-benzodioxol-5-yl)phenyl]-1,3-benzoxazole-7-carboxamide?
The IUPAC name of 2-[4-(1,3-benzodioxol-5-yl)phenyl]-1,3-benzoxazole-7-carboxamide (CID 46847383) is 2-[4-(1,3-benzodioxol-5-yl)phenyl]-1,3-benzoxazole-7-carboxamide.
What is the SMILES notation for 2-[4-(1,3-benzodioxol-5-yl)phenyl]-1,3-benzoxazole-7-carboxamide?
The canonical SMILES for 2-[4-(1,3-benzodioxol-5-yl)phenyl]-1,3-benzoxazole-7-carboxamide is NC(=O)c1cccc2nc(-c3ccc(-c4ccc5c(c4)OCO5)cc3)oc12.
What is the InChIKey of 2-[4-(1,3-benzodioxol-5-yl)phenyl]-1,3-benzoxazole-7-carboxamide?
The InChIKey is UTRXDNZZDVXJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2O4/c22-20(24)15-2-1-3-16-19(15)27-21(23-16)13-6-4-12(5-7-13)14-8-9-17-18(10-14)26-11-25-17/h1-10H,11H2,(H2,22,24).
What are the key properties of 2-[4-(1,3-benzodioxol-5-yl)phenyl]-1,3-benzoxazole-7-carboxamide?
2-[4-(1,3-benzodioxol-5-yl)phenyl]-1,3-benzoxazole-7-carboxamide has a molecular weight of 358.35 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-benzodioxol-5-yl)phenyl]-1,3-benzoxazole-7-carboxamide is sourced from PubChem (CID 46847383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).