(2R)-2-amino-N-[2-(1,3-benzoxazol-2-yl)phenyl]propanamide

C16H15N3O2 — CID 135030644

IUPAC(2R)-2-amino-N-[2-(1,3-benzoxazol-2-yl)phenyl]propanamide
SMILESC[C@@H](N)C(=O)Nc1ccccc1-c1nc2ccccc2o1
InChIInChI=1S/C16H15N3O2/c1-10(17)15(20)18-12-7-3-2-6-11(12)16-19-13-8-4-5-9-14(13)21-16/h2-10H,17H2,1H3,(H,18,20)/t10-/m1/s1
InChIKeyLZJQEQARCNVNDT-SNVBAGLBSA-N
MW281.31 g/mol
LogP2.78
Rot. Bonds3

About (2R)-2-amino-N-[2-(1,3-benzoxazol-2-yl)phenyl]propanamide

(2R)-2-amino-N-[2-(1,3-benzoxazol-2-yl)phenyl]propanamide (PubChem CID 135030644) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is (2R)-2-amino-N-[2-(1,3-benzoxazol-2-yl)phenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[2-(1,3-benzoxazol-2-yl)phenyl]propanamide
PubChem CID135030644
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name(2R)-2-amino-N-[2-(1,3-benzoxazol-2-yl)phenyl]propanamide
SMILESC[C@@H](N)C(=O)Nc1ccccc1-c1nc2ccccc2o1
InChIInChI=1S/C16H15N3O2/c1-10(17)15(20)18-12-7-3-2-6-11(12)16-19-13-8-4-5-9-14(13)21-16/h2-10H,17H2,1H3,(H,18,20)/t10-/m1/s1
InChIKeyLZJQEQARCNVNDT-SNVBAGLBSA-N
XLogP2.78
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-methylpropanamide
CID 6460335
methyl 4-[[2-(1,3-benzoxazol-2-yl)phenyl]carbamoyl]benzoate
CID 23934647
2-[2-(1,3-benzoxazol-2-yl)anilino]ethene-1,1,2-tricarbonitrile
CID 168610199
N-[2-(1,3-benzoxazol-2-yl)phenyl]naphthalene-2-carboxamide
CID 23879270
[1-(2-chloroanilino)-1-oxopropan-2-yl] 2-(1,3-benzoxazol-2-yl)benzoate
CID 23773773
(2S)-2-amino-N-[2-(1,3-benzothiazol-2-yl)phenyl]propanamide
CID 25125097
N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-(2,4-dichlorophenoxy)propanamide
CID 2953604
N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2,2,2-trifluoroacetamide
CID 9185237
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-phenylphenyl)propanamide
CID 18075869
2-(1,3-benzoxazol-2-yl)-N-[[2-(1,3-benzoxazol-2-yl)anilino]-chlorophosphoryl]aniline
CID 25112701
N-[2-[2-acetamido-5-(1,3-benzoxazol-2-yl)phenyl]-4-(1,3-benzoxazol-2-yl)phenyl]acetamide
CID 10815304
N-[2-(1,3-benzoxazol-2-yl)phenyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 25045980

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[2-(1,3-benzoxazol-2-yl)phenyl]propanamide?
The IUPAC name of (2R)-2-amino-N-[2-(1,3-benzoxazol-2-yl)phenyl]propanamide (CID 135030644) is (2R)-2-amino-N-[2-(1,3-benzoxazol-2-yl)phenyl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[2-(1,3-benzoxazol-2-yl)phenyl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[2-(1,3-benzoxazol-2-yl)phenyl]propanamide is C[C@@H](N)C(=O)Nc1ccccc1-c1nc2ccccc2o1.
What is the InChIKey of (2R)-2-amino-N-[2-(1,3-benzoxazol-2-yl)phenyl]propanamide?
The InChIKey is LZJQEQARCNVNDT-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-10(17)15(20)18-12-7-3-2-6-11(12)16-19-13-8-4-5-9-14(13)21-16/h2-10H,17H2,1H3,(H,18,20)/t10-/m1/s1.
What are the key properties of (2R)-2-amino-N-[2-(1,3-benzoxazol-2-yl)phenyl]propanamide?
(2R)-2-amino-N-[2-(1,3-benzoxazol-2-yl)phenyl]propanamide has a molecular weight of 281.31 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[2-(1,3-benzoxazol-2-yl)phenyl]propanamide is sourced from PubChem (CID 135030644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).