2-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-phenylbutanamide

C16H21N3O2 — CID 106371744

IUPAC2-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-phenylbutanamide
SMILESCc1nc(CNC(=O)C(N)CCc2ccccc2)oc1C
InChIInChI=1S/C16H21N3O2/c1-11-12(2)21-15(19-11)10-18-16(20)14(17)9-8-13-6-4-3-5-7-13/h3-7,14H,8-10,17H2,1-2H3,(H,18,20)
InChIKeyRXAYYBGFRKSRDI-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.87
Rot. Bonds6

About 2-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-phenylbutanamide

2-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-phenylbutanamide (PubChem CID 106371744) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-phenylbutanamide.

Molecular Properties

Compound Name2-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-phenylbutanamide
PubChem CID106371744
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-phenylbutanamide
SMILESCc1nc(CNC(=O)C(N)CCc2ccccc2)oc1C
InChIInChI=1S/C16H21N3O2/c1-11-12(2)21-15(19-11)10-18-16(20)14(17)9-8-13-6-4-3-5-7-13/h3-7,14H,8-10,17H2,1-2H3,(H,18,20)
InChIKeyRXAYYBGFRKSRDI-UHFFFAOYSA-N
XLogP1.87
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-phenylpropanamide
CID 103795817
(2S)-2-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(4-hydroxyphenyl)propanamide
CID 106371782
3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-phenyl-3-sulfanylidenepropanamide
CID 106372336
2-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pent-4-ynamide
CID 106371689
2-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-phenylbutanamide
CID 114927077
2-[2-(aminomethyl)phenyl]-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]acetamide
CID 106371582
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 47344961
3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylpropanamide
CID 106371786
2-amino-N-[(4-methyl-3-pyridinyl)methyl]-4-phenylbutanamide
CID 114955951
(2R)-2-amino-N-[(3-methyl-4-pyridinyl)methyl]-4-phenylbutanamide
CID 166260300
2-amino-N-[2-(carbamoylamino)ethyl]-4-phenylbutanamide
CID 114929288
2-amino-4-phenyl-N-prop-2-ynylbutanamide
CID 114925050

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-phenylbutanamide?
The IUPAC name of 2-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-phenylbutanamide (CID 106371744) is 2-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-phenylbutanamide.
What is the SMILES notation for 2-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-phenylbutanamide?
The canonical SMILES for 2-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-phenylbutanamide is Cc1nc(CNC(=O)C(N)CCc2ccccc2)oc1C.
What is the InChIKey of 2-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-phenylbutanamide?
The InChIKey is RXAYYBGFRKSRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11-12(2)21-15(19-11)10-18-16(20)14(17)9-8-13-6-4-3-5-7-13/h3-7,14H,8-10,17H2,1-2H3,(H,18,20).
What are the key properties of 2-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-phenylbutanamide?
2-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-phenylbutanamide has a molecular weight of 287.36 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-phenylbutanamide is sourced from PubChem (CID 106371744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).