N-methyl-N-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-1-(1H-pyrazol-5-yl)methanamine

C15H18N4OS — CID 56756802

IUPACN-methyl-N-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-1-(1H-pyrazol-5-yl)methanamine
SMILESCc1ccsc1-c1nc(CN(C)Cc2ccn[nH]2)c(C)o1
InChIInChI=1S/C15H18N4OS/c1-10-5-7-21-14(10)15-17-13(11(2)20-15)9-19(3)8-12-4-6-16-18-12/h4-7H,8-9H2,1-3H3,(H,16,18)
InChIKeyLKOWRDYPYCYJOB-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.38
Rot. Bonds5

About N-methyl-N-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-1-(1H-pyrazol-5-yl)methanamine

N-methyl-N-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-1-(1H-pyrazol-5-yl)methanamine (PubChem CID 56756802) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is N-methyl-N-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-1-(1H-pyrazol-5-yl)methanamine.

Molecular Properties

Compound NameN-methyl-N-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-1-(1H-pyrazol-5-yl)methanamine
PubChem CID56756802
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC NameN-methyl-N-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-1-(1H-pyrazol-5-yl)methanamine
SMILESCc1ccsc1-c1nc(CN(C)Cc2ccn[nH]2)c(C)o1
InChIInChI=1S/C15H18N4OS/c1-10-5-7-21-14(10)15-17-13(11(2)20-15)9-19(3)8-12-4-6-16-18-12/h4-7H,8-9H2,1-3H3,(H,16,18)
InChIKeyLKOWRDYPYCYJOB-UHFFFAOYSA-N
XLogP3.38
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-N-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-1-(1H-pyrazol-5-yl)methanamine 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-methyl-N-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-1-(1H-pyrazol-5-yl)methanamine?
The IUPAC name of N-methyl-N-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-1-(1H-pyrazol-5-yl)methanamine (CID 56756802) is N-methyl-N-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-1-(1H-pyrazol-5-yl)methanamine.
What is the SMILES notation for N-methyl-N-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-1-(1H-pyrazol-5-yl)methanamine?
The canonical SMILES for N-methyl-N-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-1-(1H-pyrazol-5-yl)methanamine is Cc1ccsc1-c1nc(CN(C)Cc2ccn[nH]2)c(C)o1.
What is the InChIKey of N-methyl-N-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-1-(1H-pyrazol-5-yl)methanamine?
The InChIKey is LKOWRDYPYCYJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-10-5-7-21-14(10)15-17-13(11(2)20-15)9-19(3)8-12-4-6-16-18-12/h4-7H,8-9H2,1-3H3,(H,16,18).
What are the key properties of N-methyl-N-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-1-(1H-pyrazol-5-yl)methanamine?
N-methyl-N-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-1-(1H-pyrazol-5-yl)methanamine has a molecular weight of 302.40 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-1-(1H-pyrazol-5-yl)methanamine is sourced from PubChem (CID 56756802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).