(4-fluoro-3-methyl-1,2-benzoxazol-6-yl)methanamine

C9H9FN2O — CID 117110102

IUPAC(4-fluoro-3-methyl-1,2-benzoxazol-6-yl)methanamine
SMILESCc1noc2cc(CN)cc(F)c12
InChIInChI=1S/C9H9FN2O/c1-5-9-7(10)2-6(4-11)3-8(9)13-12-5/h2-3H,4,11H2,1H3
InChIKeyWEUUCEDQGBMJGC-UHFFFAOYSA-N
MW180.18 g/mol
LogP1.73
Rot. Bonds1

About (4-fluoro-3-methyl-1,2-benzoxazol-6-yl)methanamine

(4-fluoro-3-methyl-1,2-benzoxazol-6-yl)methanamine (PubChem CID 117110102) has the molecular formula C9H9FN2O and a molecular weight of 180.18 g/mol. Its IUPAC name is (4-fluoro-3-methyl-1,2-benzoxazol-6-yl)methanamine.

Molecular Properties

Compound Name(4-fluoro-3-methyl-1,2-benzoxazol-6-yl)methanamine
PubChem CID117110102
Molecular FormulaC9H9FN2O
Molecular Weight180.18 g/mol
Exact Mass180.07
IUPAC Name(4-fluoro-3-methyl-1,2-benzoxazol-6-yl)methanamine
SMILESCc1noc2cc(CN)cc(F)c12
InChIInChI=1S/C9H9FN2O/c1-5-9-7(10)2-6(4-11)3-8(9)13-12-5/h2-3H,4,11H2,1H3
InChIKeyWEUUCEDQGBMJGC-UHFFFAOYSA-N
XLogP1.73
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-methyl-1,2-benzoxazol-6-yl)butan-1-amine
CID 117292848
(3,4,5-trifluorophenyl)methanamine;hydrochloride
CID 86064922
(5-chloro-3-methyl-1,2-benzoxazol-4-yl)methanamine
CID 117110095
(3,5-difluoro-4-methylsulfanylphenyl)methanamine
CID 63814041
(3-methyl-[1,2]oxazolo[5,4-c]pyridin-5-yl)methanamine
CID 165403169
(3,5-difluoro-4-propan-2-ylsulfanylphenyl)methanamine
CID 63808591
(5-methoxy-3-methyl-1,2-benzoxazol-4-yl)methanamine
CID 117110094
4-fluoro-5-methoxy-3-methyl-1,2-benzoxazole
CID 175218328
[3,5-difluoro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methanamine
CID 63807700
4-(aminomethyl)-2,6-difluoro-N-methylbenzamide
CID 130594863
[4-(3,5-dimethyl-1,2,4-triazol-1-yl)-3,5-difluorophenyl]methanamine
CID 55147553
[3,5-difluoro-4-(2-methylbutan-2-yloxy)phenyl]methanamine
CID 81293219

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-methyl-1,2-benzoxazol-6-yl)methanamine?
The IUPAC name of (4-fluoro-3-methyl-1,2-benzoxazol-6-yl)methanamine (CID 117110102) is (4-fluoro-3-methyl-1,2-benzoxazol-6-yl)methanamine.
What is the SMILES notation for (4-fluoro-3-methyl-1,2-benzoxazol-6-yl)methanamine?
The canonical SMILES for (4-fluoro-3-methyl-1,2-benzoxazol-6-yl)methanamine is Cc1noc2cc(CN)cc(F)c12.
What is the InChIKey of (4-fluoro-3-methyl-1,2-benzoxazol-6-yl)methanamine?
The InChIKey is WEUUCEDQGBMJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2O/c1-5-9-7(10)2-6(4-11)3-8(9)13-12-5/h2-3H,4,11H2,1H3.
What are the key properties of (4-fluoro-3-methyl-1,2-benzoxazol-6-yl)methanamine?
(4-fluoro-3-methyl-1,2-benzoxazol-6-yl)methanamine has a molecular weight of 180.18 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-methyl-1,2-benzoxazol-6-yl)methanamine is sourced from PubChem (CID 117110102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).