2-amino-N-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide

C12H15N3O2 — CID 115152327

IUPAC2-amino-N-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
SMILESCc1nc2cc(N(C)C(=O)C(C)N)ccc2o1
InChIInChI=1S/C12H15N3O2/c1-7(13)12(16)15(3)9-4-5-11-10(6-9)14-8(2)17-11/h4-7H,13H2,1-3H3
InChIKeyPXNZEXZEPJTFRH-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.45
Rot. Bonds2

About 2-amino-N-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide

2-amino-N-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide (PubChem CID 115152327) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-amino-N-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide.

Molecular Properties

Compound Name2-amino-N-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
PubChem CID115152327
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name2-amino-N-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
SMILESCc1nc2cc(N(C)C(=O)C(C)N)ccc2o1
InChIInChI=1S/C12H15N3O2/c1-7(13)12(16)15(3)9-4-5-11-10(6-9)14-8(2)17-11/h4-7H,13H2,1-3H3
InChIKeyPXNZEXZEPJTFRH-UHFFFAOYSA-N
XLogP1.45
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-[methyl-(2-methyl-1,3-benzoxazol-5-yl)amino]-3-oxopropanoic acid
CID 115179238
N-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)-2-oxoacetamide
CID 115166115
3-methyl-2-[[methyl-(2-methyl-1,3-benzoxazol-5-yl)amino]methyl]butan-1-ol
CID 115251983
(2S)-2-amino-N-(4-hydroxy-3-methylphenyl)-N-methylpropanamide
CID 91082620
2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 61274155
2-amino-N-methyl-3-(2-methyl-1,3-benzoxazol-5-yl)propanehydrazide
CID 116849128
2-[methyl-(2-methyl-1,3-benzoxazol-5-yl)amino]acetaldehyde
CID 115222828
1-methyl-3-(2-methyl-1,3-benzoxazol-5-yl)-1-naphthalen-2-ylurea
CID 893610
2-amino-N-(4-hydroxyphenyl)-N-methylpropanamide
CID 23221170
2-[methyl-(2-methyl-1,3-benzoxazol-5-yl)amino]ethanethiol
CID 115223857
(2S)-2-amino-3-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)butanamide
CID 61274361
amino-(2-methyl-1,3-benzoxazol-5-yl)methanol
CID 116939676

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide?
The IUPAC name of 2-amino-N-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide (CID 115152327) is 2-amino-N-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide.
What is the SMILES notation for 2-amino-N-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide?
The canonical SMILES for 2-amino-N-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide is Cc1nc2cc(N(C)C(=O)C(C)N)ccc2o1.
What is the InChIKey of 2-amino-N-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide?
The InChIKey is PXNZEXZEPJTFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-7(13)12(16)15(3)9-4-5-11-10(6-9)14-8(2)17-11/h4-7H,13H2,1-3H3.
What are the key properties of 2-amino-N-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide?
2-amino-N-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide has a molecular weight of 233.27 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide is sourced from PubChem (CID 115152327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).