N-(1,3-benzoxazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

C15H13N3O3 — CID 126839469

IUPACN-(1,3-benzoxazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESO=C(Nc1cccc2ocnc12)c1noc2c1CCCC2
InChIInChI=1S/C15H13N3O3/c19-15(13-9-4-1-2-6-11(9)21-18-13)17-10-5-3-7-12-14(10)16-8-20-12/h3,5,7-8H,1-2,4,6H2,(H,17,19)
InChIKeyYBQMOKGAUQVJFU-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.95
Rot. Bonds2

About N-(1,3-benzoxazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

N-(1,3-benzoxazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (PubChem CID 126839469) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is N-(1,3-benzoxazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzoxazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
PubChem CID126839469
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC NameN-(1,3-benzoxazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESO=C(Nc1cccc2ocnc12)c1noc2c1CCCC2
InChIInChI=1S/C15H13N3O3/c19-15(13-9-4-1-2-6-11(9)21-18-13)17-10-5-3-7-12-14(10)16-8-20-12/h3,5,7-8H,1-2,4,6H2,(H,17,19)
InChIKeyYBQMOKGAUQVJFU-UHFFFAOYSA-N
XLogP2.95
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1,3-benzoxazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-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

N-(2-ethylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
CID 4053928
N-(2,5-dichlorophenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 5307719
N-(4-chlorophenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 17254493
methyl 4-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carbonylamino)benzoate
CID 45493533
N-(3-methylsulfanylphenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 17254512
N-(1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 17254539
N-(5-methyl-1,2-oxazol-3-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
CID 3241508
4-propan-2-yloxy-3-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonylamino)benzoic acid
CID 119196623
N-(5-chloro-2-methoxyphenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 4048569
N-(4-ethoxyphenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 17254536
N-(5-chloro-4-methyl-3-pyridinyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
CID 146130539
N-(2-piperidin-1-ylpyrimidin-5-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 122298679

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzoxazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The IUPAC name of N-(1,3-benzoxazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (CID 126839469) is N-(1,3-benzoxazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.
What is the SMILES notation for N-(1,3-benzoxazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The canonical SMILES for N-(1,3-benzoxazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is O=C(Nc1cccc2ocnc12)c1noc2c1CCCC2.
What is the InChIKey of N-(1,3-benzoxazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The InChIKey is YBQMOKGAUQVJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c19-15(13-9-4-1-2-6-11(9)21-18-13)17-10-5-3-7-12-14(10)16-8-20-12/h3,5,7-8H,1-2,4,6H2,(H,17,19).
What are the key properties of N-(1,3-benzoxazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
N-(1,3-benzoxazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide has a molecular weight of 283.29 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzoxazol-4-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is sourced from PubChem (CID 126839469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).