2-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]-1,3-benzoxazol-5-amine

C14H16N4O2 — CID 79964561

IUPAC2-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]-1,3-benzoxazol-5-amine
SMILESCc1cc(CN(C)Cc2nc3cc(N)ccc3o2)no1
InChIInChI=1S/C14H16N4O2/c1-9-5-11(17-20-9)7-18(2)8-14-16-12-6-10(15)3-4-13(12)19-14/h3-6H,7-8,15H2,1-2H3
InChIKeyGCTWEXKGCSXSPX-UHFFFAOYSA-N
MW272.31 g/mol
LogP2.34
Rot. Bonds4

About 2-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]-1,3-benzoxazol-5-amine

2-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]-1,3-benzoxazol-5-amine (PubChem CID 79964561) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 2-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name2-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]-1,3-benzoxazol-5-amine
PubChem CID79964561
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name2-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]-1,3-benzoxazol-5-amine
SMILESCc1cc(CN(C)Cc2nc3cc(N)ccc3o2)no1
InChIInChI=1S/C14H16N4O2/c1-9-5-11(17-20-9)7-18(2)8-14-16-12-6-10(15)3-4-13(12)19-14/h3-6H,7-8,15H2,1-2H3
InChIKeyGCTWEXKGCSXSPX-UHFFFAOYSA-N
XLogP2.34
TPSA81.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[[benzyl(methyl)amino]methyl]-1,3-benzoxazol-5-amine
CID 79964128
2-[[(3-chlorophenyl)methyl-methylamino]methyl]-1,3-benzoxazol-5-amine
CID 79959763
3-[(5-amino-1,3-benzoxazol-2-yl)methyl-methylamino]-N-methylpropanamide
CID 106914591
2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]-1,3-benzoxazol-5-amine
CID 79964568
N-methyl-1-[4-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]phenyl]-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine
CID 36967982
2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,3-benzoxazol-5-amine
CID 79964395
2-[[methyl(oxolan-3-yl)amino]methyl]-1,3-benzoxazol-5-amine
CID 82732996
2-[[cyclopropylmethyl(methyl)amino]methyl]-1,3-benzoxazol-6-amine
CID 79996144
2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-1,3-benzoxazol-6-amine
CID 79995079
2-[[1-methoxypropan-2-yl(methyl)amino]methyl]-1,3-benzoxazol-5-amine
CID 79964731
[4-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]phenyl]methanol
CID 110008128
2-(difluoromethyl)-1-N-methyl-1-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzene-1,4-diamine
CID 63734774

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]-1,3-benzoxazol-5-amine?
The IUPAC name of 2-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]-1,3-benzoxazol-5-amine (CID 79964561) is 2-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]-1,3-benzoxazol-5-amine.
What is the SMILES notation for 2-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]-1,3-benzoxazol-5-amine?
The canonical SMILES for 2-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]-1,3-benzoxazol-5-amine is Cc1cc(CN(C)Cc2nc3cc(N)ccc3o2)no1.
What is the InChIKey of 2-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]-1,3-benzoxazol-5-amine?
The InChIKey is GCTWEXKGCSXSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-9-5-11(17-20-9)7-18(2)8-14-16-12-6-10(15)3-4-13(12)19-14/h3-6H,7-8,15H2,1-2H3.
What are the key properties of 2-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]-1,3-benzoxazol-5-amine?
2-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]-1,3-benzoxazol-5-amine has a molecular weight of 272.31 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]-1,3-benzoxazol-5-amine is sourced from PubChem (CID 79964561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).