(2R)-2-amino-N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]propanamide

C13H17N3O2 — CID 119335823

IUPAC(2R)-2-amino-N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]propanamide
SMILESCc1cccc2oc(CCNC(=O)[C@@H](C)N)nc12
InChIInChI=1S/C13H17N3O2/c1-8-4-3-5-10-12(8)16-11(18-10)6-7-15-13(17)9(2)14/h3-5,9H,6-7,14H2,1-2H3,(H,15,17)/t9-/m1/s1
InChIKeyOZFDBWMNLZWOHI-SECBINFHSA-N
MW247.30 g/mol
LogP1.14
Rot. Bonds4

About (2R)-2-amino-N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]propanamide

(2R)-2-amino-N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]propanamide (PubChem CID 119335823) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is (2R)-2-amino-N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]propanamide
PubChem CID119335823
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name(2R)-2-amino-N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]propanamide
SMILESCc1cccc2oc(CCNC(=O)[C@@H](C)N)nc12
InChIInChI=1S/C13H17N3O2/c1-8-4-3-5-10-12(8)16-11(18-10)6-7-15-13(17)9(2)14/h3-5,9H,6-7,14H2,1-2H3,(H,15,17)/t9-/m1/s1
InChIKeyOZFDBWMNLZWOHI-SECBINFHSA-N
XLogP1.14
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]cyclopropane-1-carboxamide
CID 119805023
2-[ethylsulfonyl(methyl)amino]-N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]acetamide
CID 100638472
2-(2-methoxyethylamino)-N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]acetamide
CID 119805097
(2S)-2-(2-cyanophenoxy)-3-methyl-N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]butanamide
CID 100627691
4-(aminomethyl)-N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]oxane-4-carboxamide
CID 120935259
2-(4-methyl-1,3-benzoxazol-2-yl)ethanamine;dihydrochloride
CID 91662919
N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119805095
1-(4-methyl-1,3-benzoxazol-2-yl)butan-2-one
CID 112710879
N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119335797
2-(3-chloropropyl)-4-methyl-1,3-benzoxazole
CID 61037198
2,2-dimethyl-3-(4-methyl-1,3-benzoxazol-2-yl)propanoic acid
CID 83859383
2-[(4-methyl-1,3-benzoxazol-2-yl)amino]propanoic acid
CID 83837550

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]propanamide?
The IUPAC name of (2R)-2-amino-N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]propanamide (CID 119335823) is (2R)-2-amino-N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]propanamide is Cc1cccc2oc(CCNC(=O)[C@@H](C)N)nc12.
What is the InChIKey of (2R)-2-amino-N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]propanamide?
The InChIKey is OZFDBWMNLZWOHI-SECBINFHSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-8-4-3-5-10-12(8)16-11(18-10)6-7-15-13(17)9(2)14/h3-5,9H,6-7,14H2,1-2H3,(H,15,17)/t9-/m1/s1.
What are the key properties of (2R)-2-amino-N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]propanamide?
(2R)-2-amino-N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]propanamide has a molecular weight of 247.30 g/mol, XLogP of 1.14, 4 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-(4-methyl-1,3-benzoxazol-2-yl)ethyl]propanamide is sourced from PubChem (CID 119335823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).