N,N-dimethyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]benzamide

C14H16N2O2S — CID 99825518

IUPACN,N-dimethyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]benzamide
SMILESCc1coc(SCc2cccc(C(=O)N(C)C)c2)n1
InChIInChI=1S/C14H16N2O2S/c1-10-8-18-14(15-10)19-9-11-5-4-6-12(7-11)13(17)16(2)3/h4-8H,9H2,1-3H3
InChIKeyIKIKIHNSQKFSBK-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.98
Rot. Bonds4

About N,N-dimethyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]benzamide

N,N-dimethyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]benzamide (PubChem CID 99825518) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is N,N-dimethyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]benzamide
PubChem CID99825518
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC NameN,N-dimethyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]benzamide
SMILESCc1coc(SCc2cccc(C(=O)N(C)C)c2)n1
InChIInChI=1S/C14H16N2O2S/c1-10-8-18-14(15-10)19-9-11-5-4-6-12(7-11)13(17)16(2)3/h4-8H,9H2,1-3H3
InChIKeyIKIKIHNSQKFSBK-UHFFFAOYSA-N
XLogP2.98
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N-dimethyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]benzamide 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,N-dimethyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]benzamide?
The IUPAC name of N,N-dimethyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]benzamide (CID 99825518) is N,N-dimethyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]benzamide.
What is the SMILES notation for N,N-dimethyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]benzamide?
The canonical SMILES for N,N-dimethyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]benzamide is Cc1coc(SCc2cccc(C(=O)N(C)C)c2)n1.
What is the InChIKey of N,N-dimethyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]benzamide?
The InChIKey is IKIKIHNSQKFSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-10-8-18-14(15-10)19-9-11-5-4-6-12(7-11)13(17)16(2)3/h4-8H,9H2,1-3H3.
What are the key properties of N,N-dimethyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]benzamide?
N,N-dimethyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]benzamide has a molecular weight of 276.36 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(4-methyl-1,3-oxazol-2-yl)sulfanylmethyl]benzamide is sourced from PubChem (CID 99825518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).