N-[4-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetyl]phenyl]-N-methylformamide

C15H16N2O3S — CID 75381544

IUPACN-[4-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetyl]phenyl]-N-methylformamide
SMILESCc1nc(SCC(=O)c2ccc(N(C)C=O)cc2)oc1C
InChIInChI=1S/C15H16N2O3S/c1-10-11(2)20-15(16-10)21-8-14(19)12-4-6-13(7-5-12)17(3)9-18/h4-7,9H,8H2,1-3H3
InChIKeyBZITULZWZDPSQY-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.86
Rot. Bonds6

About N-[4-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetyl]phenyl]-N-methylformamide

N-[4-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetyl]phenyl]-N-methylformamide (PubChem CID 75381544) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is N-[4-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetyl]phenyl]-N-methylformamide.

Molecular Properties

Compound NameN-[4-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetyl]phenyl]-N-methylformamide
PubChem CID75381544
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC NameN-[4-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetyl]phenyl]-N-methylformamide
SMILESCc1nc(SCC(=O)c2ccc(N(C)C=O)cc2)oc1C
InChIInChI=1S/C15H16N2O3S/c1-10-11(2)20-15(16-10)21-8-14(19)12-4-6-13(7-5-12)17(3)9-18/h4-7,9H,8H2,1-3H3
InChIKeyBZITULZWZDPSQY-UHFFFAOYSA-N
XLogP2.86
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[4-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetyl]phenyl]-N-methylformamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetyl]phenyl]-N-methylformamide?
The IUPAC name of N-[4-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetyl]phenyl]-N-methylformamide (CID 75381544) is N-[4-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetyl]phenyl]-N-methylformamide.
What is the SMILES notation for N-[4-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetyl]phenyl]-N-methylformamide?
The canonical SMILES for N-[4-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetyl]phenyl]-N-methylformamide is Cc1nc(SCC(=O)c2ccc(N(C)C=O)cc2)oc1C.
What is the InChIKey of N-[4-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetyl]phenyl]-N-methylformamide?
The InChIKey is BZITULZWZDPSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-10-11(2)20-15(16-10)21-8-14(19)12-4-6-13(7-5-12)17(3)9-18/h4-7,9H,8H2,1-3H3.
What are the key properties of N-[4-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetyl]phenyl]-N-methylformamide?
N-[4-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetyl]phenyl]-N-methylformamide has a molecular weight of 304.37 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetyl]phenyl]-N-methylformamide is sourced from PubChem (CID 75381544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).