N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(2-morpholin-4-yl-1,3-thiazol-5-yl)methanamine

C15H22N4O2S — CID 74232460

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(2-morpholin-4-yl-1,3-thiazol-5-yl)methanamine
SMILESCc1noc(C)c1CN(C)Cc1cnc(N2CCOCC2)s1
InChIInChI=1S/C15H22N4O2S/c1-11-14(12(2)21-17-11)10-18(3)9-13-8-16-15(22-13)19-4-6-20-7-5-19/h8H,4-7,9-10H2,1-3H3
InChIKeyCLGXYKFQLLBEFI-UHFFFAOYSA-N
MW322.43 g/mol
LogP2.22
Rot. Bonds5

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(2-morpholin-4-yl-1,3-thiazol-5-yl)methanamine

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(2-morpholin-4-yl-1,3-thiazol-5-yl)methanamine (PubChem CID 74232460) has the molecular formula C15H22N4O2S and a molecular weight of 322.43 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(2-morpholin-4-yl-1,3-thiazol-5-yl)methanamine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(2-morpholin-4-yl-1,3-thiazol-5-yl)methanamine
PubChem CID74232460
Molecular FormulaC15H22N4O2S
Molecular Weight322.43 g/mol
Exact Mass322.15
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(2-morpholin-4-yl-1,3-thiazol-5-yl)methanamine
SMILESCc1noc(C)c1CN(C)Cc1cnc(N2CCOCC2)s1
InChIInChI=1S/C15H22N4O2S/c1-11-14(12(2)21-17-11)10-18(3)9-13-8-16-15(22-13)19-4-6-20-7-5-19/h8H,4-7,9-10H2,1-3H3
InChIKeyCLGXYKFQLLBEFI-UHFFFAOYSA-N
XLogP2.22
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(2-morpholin-4-yl-1,3-thiazol-5-yl)methanamine?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(2-morpholin-4-yl-1,3-thiazol-5-yl)methanamine (CID 74232460) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(2-morpholin-4-yl-1,3-thiazol-5-yl)methanamine.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(2-morpholin-4-yl-1,3-thiazol-5-yl)methanamine?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(2-morpholin-4-yl-1,3-thiazol-5-yl)methanamine is Cc1noc(C)c1CN(C)Cc1cnc(N2CCOCC2)s1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(2-morpholin-4-yl-1,3-thiazol-5-yl)methanamine?
The InChIKey is CLGXYKFQLLBEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2S/c1-11-14(12(2)21-17-11)10-18(3)9-13-8-16-15(22-13)19-4-6-20-7-5-19/h8H,4-7,9-10H2,1-3H3.
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(2-morpholin-4-yl-1,3-thiazol-5-yl)methanamine?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(2-morpholin-4-yl-1,3-thiazol-5-yl)methanamine has a molecular weight of 322.43 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(2-morpholin-4-yl-1,3-thiazol-5-yl)methanamine is sourced from PubChem (CID 74232460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).