N-(3-amino-2-methylphenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide

C15H19N3O2S — CID 106922306

IUPACN-(3-amino-2-methylphenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide
SMILESCc1nc(SC(C)C(=O)Nc2cccc(N)c2C)oc1C
InChIInChI=1S/C15H19N3O2S/c1-8-12(16)6-5-7-13(8)18-14(19)11(4)21-15-17-9(2)10(3)20-15/h5-7,11H,16H2,1-4H3,(H,18,19)
InChIKeyMSLDDMIRNRWOAV-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.30
Rot. Bonds4

About N-(3-amino-2-methylphenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide

N-(3-amino-2-methylphenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide (PubChem CID 106922306) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-(3-amino-2-methylphenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound NameN-(3-amino-2-methylphenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide
PubChem CID106922306
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-(3-amino-2-methylphenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide
SMILESCc1nc(SC(C)C(=O)Nc2cccc(N)c2C)oc1C
InChIInChI=1S/C15H19N3O2S/c1-8-12(16)6-5-7-13(8)18-14(19)11(4)21-15-17-9(2)10(3)20-15/h5-7,11H,16H2,1-4H3,(H,18,19)
InChIKeyMSLDDMIRNRWOAV-UHFFFAOYSA-N
XLogP3.30
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylphenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide?
The IUPAC name of N-(3-amino-2-methylphenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide (CID 106922306) is N-(3-amino-2-methylphenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide.
What is the SMILES notation for N-(3-amino-2-methylphenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide?
The canonical SMILES for N-(3-amino-2-methylphenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide is Cc1nc(SC(C)C(=O)Nc2cccc(N)c2C)oc1C.
What is the InChIKey of N-(3-amino-2-methylphenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide?
The InChIKey is MSLDDMIRNRWOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-8-12(16)6-5-7-13(8)18-14(19)11(4)21-15-17-9(2)10(3)20-15/h5-7,11H,16H2,1-4H3,(H,18,19).
What are the key properties of N-(3-amino-2-methylphenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide?
N-(3-amino-2-methylphenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide has a molecular weight of 305.40 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylphenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 106922306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).