3-amino-N-[(5-phenyl-1,3-oxazol-4-yl)methyl]butanamide;hydrochloride

C14H18ClN3O2 — CID 119788971

IUPAC3-amino-N-[(5-phenyl-1,3-oxazol-4-yl)methyl]butanamide;hydrochloride
SMILESCC(N)CC(=O)NCc1ncoc1-c1ccccc1.Cl
InChIInChI=1S/C14H17N3O2.ClH/c1-10(15)7-13(18)16-8-12-14(19-9-17-12)11-5-3-2-4-6-11;/h2-6,9-10H,7-8,15H2,1H3,(H,16,18);1H
InChIKeyNAKBNQINLXZHCE-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.12
Rot. Bonds5

About 3-amino-N-[(5-phenyl-1,3-oxazol-4-yl)methyl]butanamide;hydrochloride

3-amino-N-[(5-phenyl-1,3-oxazol-4-yl)methyl]butanamide;hydrochloride (PubChem CID 119788971) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is 3-amino-N-[(5-phenyl-1,3-oxazol-4-yl)methyl]butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[(5-phenyl-1,3-oxazol-4-yl)methyl]butanamide;hydrochloride
PubChem CID119788971
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name3-amino-N-[(5-phenyl-1,3-oxazol-4-yl)methyl]butanamide;hydrochloride
SMILESCC(N)CC(=O)NCc1ncoc1-c1ccccc1.Cl
InChIInChI=1S/C14H17N3O2.ClH/c1-10(15)7-13(18)16-8-12-14(19-9-17-12)11-5-3-2-4-6-11;/h2-6,9-10H,7-8,15H2,1H3,(H,16,18);1H
InChIKeyNAKBNQINLXZHCE-UHFFFAOYSA-N
XLogP2.12
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-(oxan-4-yl)-N-[(5-phenyl-1,3-oxazol-4-yl)methyl]acetamide;hydrochloride
CID 120793629
3-amino-N-(isoquinolin-1-ylmethyl)butanamide;dihydrochloride
CID 119839728
3-amino-N-[(3-ethyl-2-pyridinyl)methyl]butanamide
CID 82738689
3-amino-N-(furan-2-ylmethyl)butanamide
CID 60835501
3-amino-N-[(2-fluorophenyl)methyl]butanamide;hydrochloride
CID 119679706
3-amino-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide
CID 106396857
N-[(5-phenyl-1,3-oxazol-4-yl)methyl]-1,2,3-benzothiadiazole-5-carboxamide
CID 166386846
3-amino-N-[(2-ethoxyphenyl)methyl]butanamide;hydrochloride
CID 119705310
5-chloro-N-[(5-phenyl-1,3-oxazol-4-yl)methyl]-1-propylpyrazole-4-carboxamide
CID 167969893
3-amino-N-[(2-bromophenyl)methyl]butanamide
CID 61402410
3-amino-N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]butanamide;hydrochloride
CID 119815783
3-amino-N-[(1-phenylpyrazol-4-yl)methyl]butanamide;hydrochloride
CID 119699560

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(5-phenyl-1,3-oxazol-4-yl)methyl]butanamide;hydrochloride?
The IUPAC name of 3-amino-N-[(5-phenyl-1,3-oxazol-4-yl)methyl]butanamide;hydrochloride (CID 119788971) is 3-amino-N-[(5-phenyl-1,3-oxazol-4-yl)methyl]butanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[(5-phenyl-1,3-oxazol-4-yl)methyl]butanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[(5-phenyl-1,3-oxazol-4-yl)methyl]butanamide;hydrochloride is CC(N)CC(=O)NCc1ncoc1-c1ccccc1.Cl.
What is the InChIKey of 3-amino-N-[(5-phenyl-1,3-oxazol-4-yl)methyl]butanamide;hydrochloride?
The InChIKey is NAKBNQINLXZHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2.ClH/c1-10(15)7-13(18)16-8-12-14(19-9-17-12)11-5-3-2-4-6-11;/h2-6,9-10H,7-8,15H2,1H3,(H,16,18);1H.
What are the key properties of 3-amino-N-[(5-phenyl-1,3-oxazol-4-yl)methyl]butanamide;hydrochloride?
3-amino-N-[(5-phenyl-1,3-oxazol-4-yl)methyl]butanamide;hydrochloride has a molecular weight of 295.77 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(5-phenyl-1,3-oxazol-4-yl)methyl]butanamide;hydrochloride is sourced from PubChem (CID 119788971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).