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

C11H16N2O2 — CID 42279932

IUPACN-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]propanamide
SMILESCCC(=O)Nc1onc2c1C[C@H](C)CC2
InChIInChI=1S/C11H16N2O2/c1-3-10(14)12-11-8-6-7(2)4-5-9(8)13-15-11/h7H,3-6H2,1-2H3,(H,12,14)/t7-/m1/s1
InChIKeyCJGBICUAMTXNIG-SSDOTTSWSA-N
MW208.26 g/mol
LogP2.15
Rot. Bonds2

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

N-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]propanamide (PubChem CID 42279932) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is N-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]propanamide.

Molecular Properties

Compound NameN-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]propanamide
PubChem CID42279932
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC NameN-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]propanamide
SMILESCCC(=O)Nc1onc2c1C[C@H](C)CC2
InChIInChI=1S/C11H16N2O2/c1-3-10(14)12-11-8-6-7(2)4-5-9(8)13-15-11/h7H,3-6H2,1-2H3,(H,12,14)/t7-/m1/s1
InChIKeyCJGBICUAMTXNIG-SSDOTTSWSA-N
XLogP2.15
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[(5S)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]butanamide
CID 42279718
N-[(5S)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]-2-phenylacetamide
CID 35343063
2-(3,5-dimethylphenoxy)-N-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]acetamide
CID 42279154
N-[(5S)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]benzamide
CID 41062815
N-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]benzamide
CID 41062814
2-(2-methylphenoxy)-N-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]acetamide
CID 40947683
N-[(5S)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]furan-2-carboxamide
CID 42280243
3-chloro-N-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]benzamide
CID 42279145
2-(5-methyl-2-propan-2-ylphenoxy)-N-[(5S)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]acetamide
CID 42279138
2-(5-methyl-2-propan-2-ylphenoxy)-N-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]acetamide
CID 42279135
3-methyl-N-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-5-phenyl-1,2-oxazole-4-carboxamide
CID 46299904
3-chloro-N-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]-1-benzothiophene-2-carboxamide
CID 35181456

Frequently Asked Questions

What is the IUPAC name of N-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]propanamide?
The IUPAC name of N-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]propanamide (CID 42279932) is N-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]propanamide.
What is the SMILES notation for N-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]propanamide?
The canonical SMILES for N-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]propanamide is CCC(=O)Nc1onc2c1C[C@H](C)CC2.
What is the InChIKey of N-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]propanamide?
The InChIKey is CJGBICUAMTXNIG-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-3-10(14)12-11-8-6-7(2)4-5-9(8)13-15-11/h7H,3-6H2,1-2H3,(H,12,14)/t7-/m1/s1.
What are the key properties of N-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]propanamide?
N-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]propanamide has a molecular weight of 208.26 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]propanamide is sourced from PubChem (CID 42279932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).