3-amino-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]butanamide

C14H17N3O2 — CID 60837809

IUPAC3-amino-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]butanamide
SMILESCc1nc(-c2ccc(NC(=O)CC(C)N)cc2)co1
InChIInChI=1S/C14H17N3O2/c1-9(15)7-14(18)17-12-5-3-11(4-6-12)13-8-19-10(2)16-13/h3-6,8-9H,7,15H2,1-2H3,(H,17,18)
InChIKeyGJTJANNNNOMAMV-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.33
Rot. Bonds4

About 3-amino-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]butanamide

3-amino-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]butanamide (PubChem CID 60837809) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-amino-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]butanamide
PubChem CID60837809
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name3-amino-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]butanamide
SMILESCc1nc(-c2ccc(NC(=O)CC(C)N)cc2)co1
InChIInChI=1S/C14H17N3O2/c1-9(15)7-14(18)17-12-5-3-11(4-6-12)13-8-19-10(2)16-13/h3-6,8-9H,7,15H2,1-2H3,(H,17,18)
InChIKeyGJTJANNNNOMAMV-UHFFFAOYSA-N
XLogP2.33
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(2-methyl-1,3-oxazol-4-yl)anilino]-4-oxobutanoic acid
CID 60942171
3-amino-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide;hydrochloride
CID 119694022
4-amino-2-methyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]butanamide
CID 80543333
5-hydroxy-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]pentanamide
CID 79199388
5-amino-2-methyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]pentanamide
CID 104683963
3-amino-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]butanamide;hydrochloride
CID 119704493
3-amino-N-(4-phenylphenyl)butanamide
CID 60835996
2-bromo-2-methyl-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]propanamide
CID 114327857
3-amino-N-[4-(carbamoylamino)phenyl]butanamide;hydrochloride
CID 119701459
1-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]-3-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]urea
CID 95761803
3-amino-N-(4-ethylphenyl)butanamide;hydrochloride
CID 119674065
N-[4-(3-aminobutanoylamino)phenyl]-2,2-dimethylpropanamide
CID 61254421

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]butanamide?
The IUPAC name of 3-amino-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]butanamide (CID 60837809) is 3-amino-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]butanamide.
What is the SMILES notation for 3-amino-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]butanamide?
The canonical SMILES for 3-amino-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]butanamide is Cc1nc(-c2ccc(NC(=O)CC(C)N)cc2)co1.
What is the InChIKey of 3-amino-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]butanamide?
The InChIKey is GJTJANNNNOMAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-9(15)7-14(18)17-12-5-3-11(4-6-12)13-8-19-10(2)16-13/h3-6,8-9H,7,15H2,1-2H3,(H,17,18).
What are the key properties of 3-amino-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]butanamide?
3-amino-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]butanamide has a molecular weight of 259.31 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]butanamide is sourced from PubChem (CID 60837809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).