N-(3-amino-3-phenylpropyl)-5-methyl-1,2-oxazole-4-carboxamide

C14H17N3O2 — CID 80506645

IUPACN-(3-amino-3-phenylpropyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)NCCC(N)c1ccccc1
InChIInChI=1S/C14H17N3O2/c1-10-12(9-17-19-10)14(18)16-8-7-13(15)11-5-3-2-4-6-11/h2-6,9,13H,7-8,15H2,1H3,(H,16,18)
InChIKeyZNIGTMQDGPPSEW-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.80
Rot. Bonds5

About N-(3-amino-3-phenylpropyl)-5-methyl-1,2-oxazole-4-carboxamide

N-(3-amino-3-phenylpropyl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 80506645) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-(3-amino-3-phenylpropyl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-phenylpropyl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID80506645
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-(3-amino-3-phenylpropyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)NCCC(N)c1ccccc1
InChIInChI=1S/C14H17N3O2/c1-10-12(9-17-19-10)14(18)16-8-7-13(15)11-5-3-2-4-6-11/h2-6,9,13H,7-8,15H2,1H3,(H,16,18)
InChIKeyZNIGTMQDGPPSEW-UHFFFAOYSA-N
XLogP1.80
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-3-phenylpropyl)-2,6-dimethylpyridine-3-carboxamide
CID 80505709
N-(3-amino-3-phenylpropyl)-3,6-dimethylpyridazine-4-carboxamide
CID 104671658
N-(3-amino-3-phenylpropyl)benzamide
CID 80506685
N-(3-amino-3-phenylpropyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 80505661
N-(2-acetamidoethyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 110682601
N-(3-amino-3-phenylpropyl)-3-hydroxy-4-methylbenzamide
CID 80507148
N-(3-amino-3-phenylpropyl)-2-ethylbutanamide
CID 80506593
N-(5-hydroxy-3-thiophen-2-ylpentyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 122160647
N-(3-amino-3-phenylpropyl)-2,5-dichlorobenzamide
CID 80507130
N-[2-(ethylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 62657278
N-(3-amino-3-phenylpropyl)-2,5-difluorobenzamide
CID 80506852
2-methyl-3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]propanoic acid
CID 62675825

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-phenylpropyl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(3-amino-3-phenylpropyl)-5-methyl-1,2-oxazole-4-carboxamide (CID 80506645) is N-(3-amino-3-phenylpropyl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(3-amino-3-phenylpropyl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(3-amino-3-phenylpropyl)-5-methyl-1,2-oxazole-4-carboxamide is Cc1oncc1C(=O)NCCC(N)c1ccccc1.
What is the InChIKey of N-(3-amino-3-phenylpropyl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is ZNIGTMQDGPPSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-10-12(9-17-19-10)14(18)16-8-7-13(15)11-5-3-2-4-6-11/h2-6,9,13H,7-8,15H2,1H3,(H,16,18).
What are the key properties of N-(3-amino-3-phenylpropyl)-5-methyl-1,2-oxazole-4-carboxamide?
N-(3-amino-3-phenylpropyl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-phenylpropyl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 80506645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).