2-(1-amino-2-phenylethyl)-N-(2-methylsulfanylethyl)-1,3-oxazole-4-carboxamide

C15H19N3O2S — CID 3270325

IUPAC2-(1-amino-2-phenylethyl)-N-(2-methylsulfanylethyl)-1,3-oxazole-4-carboxamide
SMILESCSCCNC(=O)c1coc(C(N)Cc2ccccc2)n1
InChIInChI=1S/C15H19N3O2S/c1-21-8-7-17-14(19)13-10-20-15(18-13)12(16)9-11-5-3-2-4-6-11/h2-6,10,12H,7-9,16H2,1H3,(H,17,19)
InChIKeyIKYCOXGDVIDUKS-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.01
Rot. Bonds7

About 2-(1-amino-2-phenylethyl)-N-(2-methylsulfanylethyl)-1,3-oxazole-4-carboxamide

2-(1-amino-2-phenylethyl)-N-(2-methylsulfanylethyl)-1,3-oxazole-4-carboxamide (PubChem CID 3270325) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-(1-amino-2-phenylethyl)-N-(2-methylsulfanylethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-amino-2-phenylethyl)-N-(2-methylsulfanylethyl)-1,3-oxazole-4-carboxamide
PubChem CID3270325
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name2-(1-amino-2-phenylethyl)-N-(2-methylsulfanylethyl)-1,3-oxazole-4-carboxamide
SMILESCSCCNC(=O)c1coc(C(N)Cc2ccccc2)n1
InChIInChI=1S/C15H19N3O2S/c1-21-8-7-17-14(19)13-10-20-15(18-13)12(16)9-11-5-3-2-4-6-11/h2-6,10,12H,7-9,16H2,1H3,(H,17,19)
InChIKeyIKYCOXGDVIDUKS-UHFFFAOYSA-N
XLogP2.01
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1-amino-2-phenylethyl)-N-(4-phenylbutyl)-1,3-oxazole-4-carboxamide
CID 3798183
2-(1-amino-2-phenylethyl)-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide
CID 3807301
2-(1-amino-2-hydroxyethyl)-N-(2-benzylsulfanylethyl)-1,3-oxazole-4-carboxamide
CID 3704491
2-(1-amino-2-phenylethyl)-N-(3-methylbutan-2-yl)-1,3-oxazole-4-carboxamide
CID 3869671
2-(1-amino-2-methylbutyl)-N-(2-methylsulfanylethyl)-1,3-oxazole-4-carboxamide
CID 3847133
2-(1-amino-2-phenylethyl)-N-(4-ethylphenyl)-1,3-oxazole-4-carboxamide
CID 3426251
2-(1-amino-2-phenylethyl)-N-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 5185231
2-(1-amino-2-phenylethyl)-N-(4-tert-butylphenyl)-1,3-oxazole-4-carboxamide
CID 3844343
2-(1-amino-2-phenylethyl)-N-(4-bromophenyl)-1,3-oxazole-4-carboxamide
CID 3682218
2-(1-aminopentyl)-N-(3-phenylpropyl)-1,3-oxazole-4-carboxamide
CID 3665798
benzyl 2-[[2-(1-amino-2-phenylethyl)-1,3-oxazole-4-carbonyl]amino]-3-methylbutanoate
CID 3798181
benzyl N-[3-[[2-(1-aminopropyl)-1,3-oxazole-4-carbonyl]amino]propyl]carbamate
CID 3833643

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-2-phenylethyl)-N-(2-methylsulfanylethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(1-amino-2-phenylethyl)-N-(2-methylsulfanylethyl)-1,3-oxazole-4-carboxamide (CID 3270325) is 2-(1-amino-2-phenylethyl)-N-(2-methylsulfanylethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(1-amino-2-phenylethyl)-N-(2-methylsulfanylethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(1-amino-2-phenylethyl)-N-(2-methylsulfanylethyl)-1,3-oxazole-4-carboxamide is CSCCNC(=O)c1coc(C(N)Cc2ccccc2)n1.
What is the InChIKey of 2-(1-amino-2-phenylethyl)-N-(2-methylsulfanylethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is IKYCOXGDVIDUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-21-8-7-17-14(19)13-10-20-15(18-13)12(16)9-11-5-3-2-4-6-11/h2-6,10,12H,7-9,16H2,1H3,(H,17,19).
What are the key properties of 2-(1-amino-2-phenylethyl)-N-(2-methylsulfanylethyl)-1,3-oxazole-4-carboxamide?
2-(1-amino-2-phenylethyl)-N-(2-methylsulfanylethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 305.40 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-2-phenylethyl)-N-(2-methylsulfanylethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3270325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).