7-(aminomethyl)-2-methyl-N-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-4-amine

C16H14F3N3O — CID 142503957

IUPAC7-(aminomethyl)-2-methyl-N-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-4-amine
SMILESCc1nc2c(Nc3ccc(C(F)(F)F)cc3)ccc(CN)c2o1
InChIInChI=1S/C16H14F3N3O/c1-9-21-14-13(7-2-10(8-20)15(14)23-9)22-12-5-3-11(4-6-12)16(17,18)19/h2-7,22H,8,20H2,1H3
InChIKeyYNASDDHGDJNYRD-UHFFFAOYSA-N
MW321.30 g/mol
LogP4.36
Rot. Bonds3

About 7-(aminomethyl)-2-methyl-N-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-4-amine

7-(aminomethyl)-2-methyl-N-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-4-amine (PubChem CID 142503957) has the molecular formula C16H14F3N3O and a molecular weight of 321.30 g/mol. Its IUPAC name is 7-(aminomethyl)-2-methyl-N-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-4-amine.

Molecular Properties

Compound Name7-(aminomethyl)-2-methyl-N-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-4-amine
PubChem CID142503957
Molecular FormulaC16H14F3N3O
Molecular Weight321.30 g/mol
Exact Mass321.11
IUPAC Name7-(aminomethyl)-2-methyl-N-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-4-amine
SMILESCc1nc2c(Nc3ccc(C(F)(F)F)cc3)ccc(CN)c2o1
InChIInChI=1S/C16H14F3N3O/c1-9-21-14-13(7-2-10(8-20)15(14)23-9)22-12-5-3-11(4-6-12)16(17,18)19/h2-7,22H,8,20H2,1H3
InChIKeyYNASDDHGDJNYRD-UHFFFAOYSA-N
XLogP4.36
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.30
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-[4-(trifluoromethyl)anilino]-1,3-benzoxazole-7-carbonitrile
CID 142503939
[7-(aminomethyl)-2-methyl-1,3-benzoxazol-4-yl]-[4-(trifluoromethyl)phenyl]methanol
CID 142503907
[2-propan-2-yl-4-[4-(trifluoromethyl)phenoxy]-1,3-benzoxazol-7-yl]methanamine
CID 142503923
6-methyl-N-[4-(trifluoromethyl)phenyl]pyridin-3-amine
CID 129133333
ethane;4-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]aniline
CID 144664157
N-[[2-methyl-4-[4-(trifluoromethyl)phenyl]sulfonyl-1,3-benzoxazol-7-yl]methyl]prop-2-enamide
CID 151828050
2-N,4-N,6-N-tris[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine
CID 154659659
4-bromo-1-N-[4-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 29066934
[2-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]methanamine
CID 121237669
6-hydrazinyl-2-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 80919814
2-N,6-dimethyl-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 80760167
N-[4-(trifluoromethyl)phenyl]naphtho[2,1-b][1]benzofuran-8-amine
CID 126550573

Frequently Asked Questions

What is the IUPAC name of 7-(aminomethyl)-2-methyl-N-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-4-amine?
The IUPAC name of 7-(aminomethyl)-2-methyl-N-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-4-amine (CID 142503957) is 7-(aminomethyl)-2-methyl-N-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-4-amine.
What is the SMILES notation for 7-(aminomethyl)-2-methyl-N-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-4-amine?
The canonical SMILES for 7-(aminomethyl)-2-methyl-N-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-4-amine is Cc1nc2c(Nc3ccc(C(F)(F)F)cc3)ccc(CN)c2o1.
What is the InChIKey of 7-(aminomethyl)-2-methyl-N-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-4-amine?
The InChIKey is YNASDDHGDJNYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O/c1-9-21-14-13(7-2-10(8-20)15(14)23-9)22-12-5-3-11(4-6-12)16(17,18)19/h2-7,22H,8,20H2,1H3.
What are the key properties of 7-(aminomethyl)-2-methyl-N-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-4-amine?
7-(aminomethyl)-2-methyl-N-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-4-amine has a molecular weight of 321.30 g/mol, XLogP of 4.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(aminomethyl)-2-methyl-N-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-4-amine is sourced from PubChem (CID 142503957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).