3-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-phenylpropanamide

C15H19N3O2 — CID 43588867

IUPAC3-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-phenylpropanamide
SMILESCc1cc(CN(C)C(=O)CC(N)c2ccccc2)no1
InChIInChI=1S/C15H19N3O2/c1-11-8-13(17-20-11)10-18(2)15(19)9-14(16)12-6-4-3-5-7-12/h3-8,14H,9-10,16H2,1-2H3
InChIKeyBQBSTVBVCROKMW-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.03
Rot. Bonds5

About 3-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-phenylpropanamide

3-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-phenylpropanamide (PubChem CID 43588867) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-phenylpropanamide
PubChem CID43588867
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-phenylpropanamide
SMILESCc1cc(CN(C)C(=O)CC(N)c2ccccc2)no1
InChIInChI=1S/C15H19N3O2/c1-11-8-13(17-20-11)10-18(2)15(19)9-14(16)12-6-4-3-5-7-12/h3-8,14H,9-10,16H2,1-2H3
InChIKeyBQBSTVBVCROKMW-UHFFFAOYSA-N
XLogP2.03
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-oxo-4-phenylbutanamide
CID 86979897
3-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide
CID 43588860
2-anilino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide;hydrochloride
CID 119729314
2-[2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-2-oxoethyl]benzoic acid
CID 115923697
2-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide
CID 43588863
3-amino-N-ethyl-N-methyl-3-phenylpropanamide
CID 43263469
3-amino-N-(2,2-difluoroethyl)-N-methyl-3-phenylpropanamide;hydrochloride
CID 119950674
3-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide
CID 60962958
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-phenyl-2-thiomorpholin-4-ylacetamide
CID 51099887
3-amino-N,N-dimethyl-3-phenylpropanamide
CID 24691874
3-amino-N-(3,5-dimethylphenyl)-N-methyl-3-phenylpropanamide
CID 119950423
(2S)-2-amino-N,3,3-trimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide;hydrochloride
CID 119729318

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-phenylpropanamide?
The IUPAC name of 3-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-phenylpropanamide (CID 43588867) is 3-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-phenylpropanamide is Cc1cc(CN(C)C(=O)CC(N)c2ccccc2)no1.
What is the InChIKey of 3-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-phenylpropanamide?
The InChIKey is BQBSTVBVCROKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-11-8-13(17-20-11)10-18(2)15(19)9-14(16)12-6-4-3-5-7-12/h3-8,14H,9-10,16H2,1-2H3.
What are the key properties of 3-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-phenylpropanamide?
3-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-phenylpropanamide has a molecular weight of 273.34 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-phenylpropanamide is sourced from PubChem (CID 43588867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).