5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-1,2-oxazol-3-amine

C13H17N3O — CID 117038958

IUPAC5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-1,2-oxazol-3-amine
SMILESCc1ccc(CN(C)Cc2cc(N)no2)cc1
InChIInChI=1S/C13H17N3O/c1-10-3-5-11(6-4-10)8-16(2)9-12-7-13(14)15-17-12/h3-7H,8-9H2,1-2H3,(H2,14,15)
InChIKeyUVBDECXNQJJOED-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.20
Rot. Bonds4

About 5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-1,2-oxazol-3-amine

5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-1,2-oxazol-3-amine (PubChem CID 117038958) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-1,2-oxazol-3-amine
PubChem CID117038958
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-1,2-oxazol-3-amine
SMILESCc1ccc(CN(C)Cc2cc(N)no2)cc1
InChIInChI=1S/C13H17N3O/c1-10-3-5-11(6-4-10)8-16(2)9-12-7-13(14)15-17-12/h3-7H,8-9H2,1-2H3,(H2,14,15)
InChIKeyUVBDECXNQJJOED-UHFFFAOYSA-N
XLogP2.20
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[methyl-[2-(4-methylphenyl)ethyl]amino]methyl]-1,2-oxazol-3-amine
CID 117039027
5-[[(4-methoxyphenyl)methyl-methylamino]methyl]-1,2-oxazol-3-amine
CID 117038966
5-[[(2-fluorophenyl)methyl-methylamino]methyl]-1,2-oxazol-3-amine
CID 117039000
5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]pyridin-2-amine
CID 62183230
5-[[2-(2,4-difluorophenyl)ethyl-methylamino]methyl]-1,2-oxazol-3-amine
CID 117039040
5-[(N-methylanilino)methyl]-1,2-oxazol-3-amine
CID 117038114
4-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]benzoic acid
CID 54885490
5-[(N,3,4-trimethylanilino)methyl]-1,2-oxazol-3-amine
CID 117038852
5-[[methyl-(5-methylfuran-2-yl)amino]methyl]-1,2-oxazol-3-amine
CID 117038935
5-[(N,2,4,5-tetramethylanilino)methyl]-1,2-oxazol-3-amine
CID 117038901
N-(bromomethyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 115261992
5-[(5-chloro-2-fluoro-N-methylanilino)methyl]-1,2-oxazol-3-amine
CID 117038908

Frequently Asked Questions

What is the IUPAC name of 5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-1,2-oxazol-3-amine?
The IUPAC name of 5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-1,2-oxazol-3-amine (CID 117038958) is 5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-1,2-oxazol-3-amine.
What is the SMILES notation for 5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-1,2-oxazol-3-amine?
The canonical SMILES for 5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-1,2-oxazol-3-amine is Cc1ccc(CN(C)Cc2cc(N)no2)cc1.
What is the InChIKey of 5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-1,2-oxazol-3-amine?
The InChIKey is UVBDECXNQJJOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-10-3-5-11(6-4-10)8-16(2)9-12-7-13(14)15-17-12/h3-7H,8-9H2,1-2H3,(H2,14,15).
What are the key properties of 5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-1,2-oxazol-3-amine?
5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-1,2-oxazol-3-amine has a molecular weight of 231.30 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-1,2-oxazol-3-amine is sourced from PubChem (CID 117038958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).