2-(2-fluorophenyl)-4,7-dimethyl-1,3-benzoxazol-5-amine

C15H13FN2O — CID 82232746

IUPAC2-(2-fluorophenyl)-4,7-dimethyl-1,3-benzoxazol-5-amine
SMILESCc1c(N)cc(C)c2oc(-c3ccccc3F)nc12
InChIInChI=1S/C15H13FN2O/c1-8-7-12(17)9(2)13-14(8)19-15(18-13)10-5-3-4-6-11(10)16/h3-7H,17H2,1-2H3
InChIKeyHNWQFNMOZSRKMX-UHFFFAOYSA-N
MW256.28 g/mol
LogP3.83
Rot. Bonds1

About 2-(2-fluorophenyl)-4,7-dimethyl-1,3-benzoxazol-5-amine

2-(2-fluorophenyl)-4,7-dimethyl-1,3-benzoxazol-5-amine (PubChem CID 82232746) has the molecular formula C15H13FN2O and a molecular weight of 256.28 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-4,7-dimethyl-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-4,7-dimethyl-1,3-benzoxazol-5-amine
PubChem CID82232746
Molecular FormulaC15H13FN2O
Molecular Weight256.28 g/mol
Exact Mass256.10
IUPAC Name2-(2-fluorophenyl)-4,7-dimethyl-1,3-benzoxazol-5-amine
SMILESCc1c(N)cc(C)c2oc(-c3ccccc3F)nc12
InChIInChI=1S/C15H13FN2O/c1-8-7-12(17)9(2)13-14(8)19-15(18-13)10-5-3-4-6-11(10)16/h3-7H,17H2,1-2H3
InChIKeyHNWQFNMOZSRKMX-UHFFFAOYSA-N
XLogP3.83
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,7-dimethyl-2-phenyl-1,3-benzoxazol-5-amine
CID 82231793
5-chloro-2-(2-fluorophenyl)-7-methyl-1,3-benzoxazole
CID 82233118
7-bromo-2-(2-fluorophenyl)-5,6-dimethyl-1,3-benzoxazole
CID 28690900
2-(2-fluorophenyl)-[1,3]oxazolo[5,4-b]pyridin-7-amine
CID 84692482
1-[5-amino-2-(2-fluorophenyl)-1,3-benzoxazol-7-yl]ethanone
CID 94979203
2-(2-fluorophenyl)-7-methyl-5-nitro-1,3-benzoxazole
CID 95910835
5-(2-fluorophenyl)-4-methyl-1,3-oxazol-2-amine
CID 114834343
2,2,2-trifluoro-N-[2-(2-fluorophenyl)-7-methyl-1,3-benzoxazol-5-yl]acetamide
CID 91676679
17-(2-fluorophenyl)-4,5,10,11,20-pentapentoxy-18-oxa-16-azapentacyclo[12.7.0.02,7.08,13.015,19]henicosa-1(21),2,4,6,8,10,12,14,16,19-decaene
CID 171762099
4,5-difluoro-7-methyl-1,3-benzoxazol-2-amine
CID 130512810
7-chloro-4-methyl-2-(4-methylphenyl)-1,3-benzoxazol-5-amine
CID 94979363
4,5,6,7-tetramethyl-2-(4-methylnaphthalen-1-yl)-1,3-benzoxazole
CID 20612808

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-4,7-dimethyl-1,3-benzoxazol-5-amine?
The IUPAC name of 2-(2-fluorophenyl)-4,7-dimethyl-1,3-benzoxazol-5-amine (CID 82232746) is 2-(2-fluorophenyl)-4,7-dimethyl-1,3-benzoxazol-5-amine.
What is the SMILES notation for 2-(2-fluorophenyl)-4,7-dimethyl-1,3-benzoxazol-5-amine?
The canonical SMILES for 2-(2-fluorophenyl)-4,7-dimethyl-1,3-benzoxazol-5-amine is Cc1c(N)cc(C)c2oc(-c3ccccc3F)nc12.
What is the InChIKey of 2-(2-fluorophenyl)-4,7-dimethyl-1,3-benzoxazol-5-amine?
The InChIKey is HNWQFNMOZSRKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O/c1-8-7-12(17)9(2)13-14(8)19-15(18-13)10-5-3-4-6-11(10)16/h3-7H,17H2,1-2H3.
What are the key properties of 2-(2-fluorophenyl)-4,7-dimethyl-1,3-benzoxazol-5-amine?
2-(2-fluorophenyl)-4,7-dimethyl-1,3-benzoxazol-5-amine has a molecular weight of 256.28 g/mol, XLogP of 3.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-4,7-dimethyl-1,3-benzoxazol-5-amine is sourced from PubChem (CID 82232746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).