(2S)-2-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)propanamide;hydrochloride

C12H16ClN3O2 — CID 119290751

IUPAC(2S)-2-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)propanamide;hydrochloride
SMILESCCc1nc2cc(NC(=O)[C@H](C)N)ccc2o1.Cl
InChIInChI=1S/C12H15N3O2.ClH/c1-3-11-15-9-6-8(4-5-10(9)17-11)14-12(16)7(2)13;/h4-7H,3,13H2,1-2H3,(H,14,16);1H/t7-;/m0./s1
InChIKeyPZOHYQHEZDGOKV-FJXQXJEOSA-N
MW269.73 g/mol
LogP2.10
Rot. Bonds3

About (2S)-2-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)propanamide;hydrochloride

(2S)-2-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)propanamide;hydrochloride (PubChem CID 119290751) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)propanamide;hydrochloride
PubChem CID119290751
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC Name(2S)-2-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)propanamide;hydrochloride
SMILESCCc1nc2cc(NC(=O)[C@H](C)N)ccc2o1.Cl
InChIInChI=1S/C12H15N3O2.ClH/c1-3-11-15-9-6-8(4-5-10(9)17-11)14-12(16)7(2)13;/h4-7H,3,13H2,1-2H3,(H,14,16);1H/t7-;/m0./s1
InChIKeyPZOHYQHEZDGOKV-FJXQXJEOSA-N
XLogP2.10
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)-3-methylpentanamide
CID 60944281
2-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)butanediamide;hydrochloride
CID 119956615
(2R)-2-amino-N-[2-(2-methoxyethyl)-1,3-benzoxazol-5-yl]propanamide;hydrochloride
CID 119339802
3-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)-2-methoxypropanamide
CID 106111892
4-amino-5-[(2-ethyl-1,3-benzoxazol-5-yl)amino]-5-oxopentanoic acid
CID 64888528
2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 61274155
4-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)benzamide;hydrochloride
CID 75526044
1-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)cyclopropane-1-carboxamide;hydrochloride
CID 119725949
3-(ethylamino)-N-(2-ethyl-1,3-benzoxazol-5-yl)butanamide
CID 62837775
4-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)benzamide
CID 60945682
1-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119290757
3-amino-N-[2-(methoxymethyl)-1,3-benzoxazol-5-yl]-2-methylbutanamide;hydrochloride
CID 120502106

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)propanamide;hydrochloride (CID 119290751) is (2S)-2-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)propanamide;hydrochloride is CCc1nc2cc(NC(=O)[C@H](C)N)ccc2o1.Cl.
What is the InChIKey of (2S)-2-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)propanamide;hydrochloride?
The InChIKey is PZOHYQHEZDGOKV-FJXQXJEOSA-N. The full InChI is InChI=1S/C12H15N3O2.ClH/c1-3-11-15-9-6-8(4-5-10(9)17-11)14-12(16)7(2)13;/h4-7H,3,13H2,1-2H3,(H,14,16);1H/t7-;/m0./s1.
What are the key properties of (2S)-2-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)propanamide;hydrochloride?
(2S)-2-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)propanamide;hydrochloride has a molecular weight of 269.73 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-ethyl-1,3-benzoxazol-5-yl)propanamide;hydrochloride is sourced from PubChem (CID 119290751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).