2-(1-amino-3-methylsulfanylpropyl)-N-prop-2-enyl-1,3-oxazole-4-carboxamide

C11H17N3O2S — CID 3813371

IUPAC2-(1-amino-3-methylsulfanylpropyl)-N-prop-2-enyl-1,3-oxazole-4-carboxamide
SMILESC=CCNC(=O)c1coc(C(N)CCSC)n1
InChIInChI=1S/C11H17N3O2S/c1-3-5-13-10(15)9-7-16-11(14-9)8(12)4-6-17-2/h3,7-8H,1,4-6,12H2,2H3,(H,13,15)
InChIKeyNOIFQRGJGPIVCB-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.34
Rot. Bonds7

About 2-(1-amino-3-methylsulfanylpropyl)-N-prop-2-enyl-1,3-oxazole-4-carboxamide

2-(1-amino-3-methylsulfanylpropyl)-N-prop-2-enyl-1,3-oxazole-4-carboxamide (PubChem CID 3813371) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-(1-amino-3-methylsulfanylpropyl)-N-prop-2-enyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-amino-3-methylsulfanylpropyl)-N-prop-2-enyl-1,3-oxazole-4-carboxamide
PubChem CID3813371
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name2-(1-amino-3-methylsulfanylpropyl)-N-prop-2-enyl-1,3-oxazole-4-carboxamide
SMILESC=CCNC(=O)c1coc(C(N)CCSC)n1
InChIInChI=1S/C11H17N3O2S/c1-3-5-13-10(15)9-7-16-11(14-9)8(12)4-6-17-2/h3,7-8H,1,4-6,12H2,2H3,(H,13,15)
InChIKeyNOIFQRGJGPIVCB-UHFFFAOYSA-N
XLogP1.34
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(1-amino-3-methylsulfanylpropyl)-N-(4-chlorophenyl)-1,3-oxazole-4-carboxamide
CID 3388848
2-(1-amino-3-methylsulfanylpropyl)-N-(4-fluorophenyl)-1,3-oxazole-4-carboxamide
CID 3388849
2-(1-amino-3-methylsulfanylpropyl)-N-[(3,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3825691
2-(1-amino-3-methylsulfanylpropyl)-N-(9H-fluoren-9-yl)-1,3-oxazole-4-carboxamide
CID 3674792
2-(1-amino-3-methylsulfanylpropyl)-N-(4-morpholin-4-ylphenyl)-1,3-oxazole-4-carboxamide
CID 3710412
2-(1-amino-2-phenylethyl)-N-(2-methylsulfanylethyl)-1,3-oxazole-4-carboxamide
CID 3270325
2-(1-aminopentyl)-N-pentyl-1,3-oxazole-4-carboxamide
CID 5160787
2-(1-amino-2-methylbutyl)-N-(2-methylsulfanylethyl)-1,3-oxazole-4-carboxamide
CID 3847133
2-(1-aminobutyl)-N-[2-(diethylamino)ethyl]-1,3-oxazole-4-carboxamide
CID 3866343
2-(1-aminobutyl)-N-(cyclopropylmethyl)-1,3-oxazole-4-carboxamide
CID 3795383
2-(1-amino-3-methylbutyl)-N-(3-methylbutyl)-1,3-oxazole-4-carboxamide
CID 3866540
[2-(1-amino-3-methylsulfanylpropyl)-1,3-oxazol-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 3863866

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-3-methylsulfanylpropyl)-N-prop-2-enyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(1-amino-3-methylsulfanylpropyl)-N-prop-2-enyl-1,3-oxazole-4-carboxamide (CID 3813371) is 2-(1-amino-3-methylsulfanylpropyl)-N-prop-2-enyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(1-amino-3-methylsulfanylpropyl)-N-prop-2-enyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(1-amino-3-methylsulfanylpropyl)-N-prop-2-enyl-1,3-oxazole-4-carboxamide is C=CCNC(=O)c1coc(C(N)CCSC)n1.
What is the InChIKey of 2-(1-amino-3-methylsulfanylpropyl)-N-prop-2-enyl-1,3-oxazole-4-carboxamide?
The InChIKey is NOIFQRGJGPIVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-3-5-13-10(15)9-7-16-11(14-9)8(12)4-6-17-2/h3,7-8H,1,4-6,12H2,2H3,(H,13,15).
What are the key properties of 2-(1-amino-3-methylsulfanylpropyl)-N-prop-2-enyl-1,3-oxazole-4-carboxamide?
2-(1-amino-3-methylsulfanylpropyl)-N-prop-2-enyl-1,3-oxazole-4-carboxamide has a molecular weight of 255.34 g/mol, XLogP of 1.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-3-methylsulfanylpropyl)-N-prop-2-enyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3813371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).