N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(4-methylphenyl)ethane-1,2-diamine

C15H21N3O — CID 55016878

IUPACN-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(4-methylphenyl)ethane-1,2-diamine
SMILESCc1ccc(C(CN)N(C)Cc2cc(C)on2)cc1
InChIInChI=1S/C15H21N3O/c1-11-4-6-13(7-5-11)15(9-16)18(3)10-14-8-12(2)19-17-14/h4-8,15H,9-10,16H2,1-3H3
InChIKeySBFWOZIMDDQYJX-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.42
Rot. Bonds5

About N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(4-methylphenyl)ethane-1,2-diamine

N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(4-methylphenyl)ethane-1,2-diamine (PubChem CID 55016878) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(4-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(4-methylphenyl)ethane-1,2-diamine
PubChem CID55016878
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(4-methylphenyl)ethane-1,2-diamine
SMILESCc1ccc(C(CN)N(C)Cc2cc(C)on2)cc1
InChIInChI=1S/C15H21N3O/c1-11-4-6-13(7-5-11)15(9-16)18(3)10-14-8-12(2)19-17-14/h4-8,15H,9-10,16H2,1-3H3
InChIKeySBFWOZIMDDQYJX-UHFFFAOYSA-N
XLogP2.42
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(4-methylphenyl)ethane-1,2-diamine?
The IUPAC name of N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(4-methylphenyl)ethane-1,2-diamine (CID 55016878) is N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(4-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(4-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(4-methylphenyl)ethane-1,2-diamine is Cc1ccc(C(CN)N(C)Cc2cc(C)on2)cc1.
What is the InChIKey of N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(4-methylphenyl)ethane-1,2-diamine?
The InChIKey is SBFWOZIMDDQYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11-4-6-13(7-5-11)15(9-16)18(3)10-14-8-12(2)19-17-14/h4-8,15H,9-10,16H2,1-3H3.
What are the key properties of N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(4-methylphenyl)ethane-1,2-diamine?
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(4-methylphenyl)ethane-1,2-diamine has a molecular weight of 259.35 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-(4-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 55016878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).