N-[(5S)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]benzamide

C15H16N2O2 — CID 41062815

IUPACN-[(5S)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]benzamide
SMILESC[C@H]1CCc2noc(NC(=O)c3ccccc3)c2C1
InChIInChI=1S/C15H16N2O2/c1-10-7-8-13-12(9-10)15(19-17-13)16-14(18)11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,16,18)/t10-/m0/s1
InChIKeyQVWHBCATRRSVRS-JTQLQIEISA-N
MW256.31 g/mol
LogP3.05
Rot. Bonds2

About N-[(5S)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]benzamide

N-[(5S)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]benzamide (PubChem CID 41062815) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is N-[(5S)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]benzamide.

Molecular Properties

Compound NameN-[(5S)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]benzamide
PubChem CID41062815
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC NameN-[(5S)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]benzamide
SMILESC[C@H]1CCc2noc(NC(=O)c3ccccc3)c2C1
InChIInChI=1S/C15H16N2O2/c1-10-7-8-13-12(9-10)15(19-17-13)16-14(18)11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,16,18)/t10-/m0/s1
InChIKeyQVWHBCATRRSVRS-JTQLQIEISA-N
XLogP3.05
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]benzamide
CID 41062814
3-chloro-N-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]benzamide
CID 42279145
N-[(5S)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]-2-phenylacetamide
CID 35343063
N-[(5S)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]furan-2-carboxamide
CID 42280243
3-methyl-N-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-5-phenyl-1,2-oxazole-4-carboxamide
CID 46299904
N-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]propanamide
CID 42279932
3-chloro-N-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]-1-benzothiophene-2-carboxamide
CID 35181456
N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)benzamide
CID 16942268
2-(2-methylphenoxy)-N-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]acetamide
CID 40947683
3-methyl-N-[(5S)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]butanamide
CID 42279718
4-benzoyl-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)benzamide
CID 16942451
5-bromo-3-methyl-N-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-1-benzofuran-2-carboxamide
CID 43843020

Frequently Asked Questions

What is the IUPAC name of N-[(5S)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]benzamide?
The IUPAC name of N-[(5S)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]benzamide (CID 41062815) is N-[(5S)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]benzamide.
What is the SMILES notation for N-[(5S)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]benzamide?
The canonical SMILES for N-[(5S)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]benzamide is C[C@H]1CCc2noc(NC(=O)c3ccccc3)c2C1.
What is the InChIKey of N-[(5S)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]benzamide?
The InChIKey is QVWHBCATRRSVRS-JTQLQIEISA-N. The full InChI is InChI=1S/C15H16N2O2/c1-10-7-8-13-12(9-10)15(19-17-13)16-14(18)11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,16,18)/t10-/m0/s1.
What are the key properties of N-[(5S)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]benzamide?
N-[(5S)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]benzamide has a molecular weight of 256.31 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]benzamide is sourced from PubChem (CID 41062815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).