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

C16H18N2O2 — CID 35343063

IUPACN-[(5S)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]-2-phenylacetamide
SMILESC[C@H]1CCc2noc(NC(=O)Cc3ccccc3)c2C1
InChIInChI=1S/C16H18N2O2/c1-11-7-8-14-13(9-11)16(20-18-14)17-15(19)10-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,17,19)/t11-/m0/s1
InChIKeyXBXOGQZMZCWCIS-NSHDSACASA-N
MW270.33 g/mol
LogP2.98
Rot. Bonds3

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

N-[(5S)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]-2-phenylacetamide (PubChem CID 35343063) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-[(5S)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(5S)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]-2-phenylacetamide
PubChem CID35343063
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN-[(5S)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]-2-phenylacetamide
SMILESC[C@H]1CCc2noc(NC(=O)Cc3ccccc3)c2C1
InChIInChI=1S/C16H18N2O2/c1-11-7-8-14-13(9-11)16(20-18-14)17-15(19)10-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,17,19)/t11-/m0/s1
InChIKeyXBXOGQZMZCWCIS-NSHDSACASA-N
XLogP2.98
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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]propanamide
CID 42279932
N-[(5S)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]furan-2-carboxamide
CID 42280243
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
3-methyl-N-(5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-5-phenyl-1,2-oxazole-4-carboxamide
CID 46299904
2-(3,5-dimethylphenoxy)-N-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]acetamide
CID 42279154
3-chloro-N-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]benzamide
CID 42279145
3-chloro-N-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]-1-benzothiophene-2-carboxamide
CID 35181456
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
7,8-dimethyl-N-[(5S)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]-4-oxochromene-2-carboxamide
CID 35131763

Frequently Asked Questions

What is the IUPAC name of N-[(5S)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]-2-phenylacetamide?
The IUPAC name of N-[(5S)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]-2-phenylacetamide (CID 35343063) is N-[(5S)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]-2-phenylacetamide.
What is the SMILES notation for N-[(5S)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]-2-phenylacetamide?
The canonical SMILES for N-[(5S)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]-2-phenylacetamide is C[C@H]1CCc2noc(NC(=O)Cc3ccccc3)c2C1.
What is the InChIKey of N-[(5S)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]-2-phenylacetamide?
The InChIKey is XBXOGQZMZCWCIS-NSHDSACASA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11-7-8-14-13(9-11)16(20-18-14)17-15(19)10-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,17,19)/t11-/m0/s1.
What are the key properties of N-[(5S)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]-2-phenylacetamide?
N-[(5S)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]-2-phenylacetamide has a molecular weight of 270.33 g/mol, XLogP of 2.98, 3 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]-2-phenylacetamide is sourced from PubChem (CID 35343063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).