2-(3-fluorophenyl)-N-methyl-1,3-benzoxazol-5-amine

C14H11FN2O — CID 91676646

IUPAC2-(3-fluorophenyl)-N-methyl-1,3-benzoxazol-5-amine
SMILESCNc1ccc2oc(-c3cccc(F)c3)nc2c1
InChIInChI=1S/C14H11FN2O/c1-16-11-5-6-13-12(8-11)17-14(18-13)9-3-2-4-10(15)7-9/h2-8,16H,1H3
InChIKeyOBYZJMQDUMDRTO-UHFFFAOYSA-N
MW242.25 g/mol
LogP3.68
Rot. Bonds2

About 2-(3-fluorophenyl)-N-methyl-1,3-benzoxazol-5-amine

2-(3-fluorophenyl)-N-methyl-1,3-benzoxazol-5-amine (PubChem CID 91676646) has the molecular formula C14H11FN2O and a molecular weight of 242.25 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-methyl-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-methyl-1,3-benzoxazol-5-amine
PubChem CID91676646
Molecular FormulaC14H11FN2O
Molecular Weight242.25 g/mol
Exact Mass242.09
IUPAC Name2-(3-fluorophenyl)-N-methyl-1,3-benzoxazol-5-amine
SMILESCNc1ccc2oc(-c3cccc(F)c3)nc2c1
InChIInChI=1S/C14H11FN2O/c1-16-11-5-6-13-12(8-11)17-14(18-13)9-3-2-4-10(15)7-9/h2-8,16H,1H3
InChIKeyOBYZJMQDUMDRTO-UHFFFAOYSA-N
XLogP3.68
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]thiourea
CID 28689369
2-(3-fluorophenyl)-5-[[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]sulfanyl]-1,3-benzoxazole
CID 141112890
3-(5-bromo-1,3-benzoxazol-2-yl)-N-methylaniline
CID 142897927
4-tert-butyl-N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 23960249
1-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]ethanone
CID 82299125
2-(4-iodophenyl)-N-methyl-1,3-benzoxazol-5-amine
CID 91682504
N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]but-3-enamide
CID 4714601
2-(3-fluorophenyl)-5-(2-methylpropyl)-1,3-benzoxazole
CID 82233469
2-(3-fluorophenyl)-1,3-benzoxazole-5-sulfinic acid
CID 174517894
2,3-dichloro-N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 1324915
2,5-dichloro-N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 1126552
N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]-3-phenylprop-2-enamide
CID 1322841

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-methyl-1,3-benzoxazol-5-amine?
The IUPAC name of 2-(3-fluorophenyl)-N-methyl-1,3-benzoxazol-5-amine (CID 91676646) is 2-(3-fluorophenyl)-N-methyl-1,3-benzoxazol-5-amine.
What is the SMILES notation for 2-(3-fluorophenyl)-N-methyl-1,3-benzoxazol-5-amine?
The canonical SMILES for 2-(3-fluorophenyl)-N-methyl-1,3-benzoxazol-5-amine is CNc1ccc2oc(-c3cccc(F)c3)nc2c1.
What is the InChIKey of 2-(3-fluorophenyl)-N-methyl-1,3-benzoxazol-5-amine?
The InChIKey is OBYZJMQDUMDRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O/c1-16-11-5-6-13-12(8-11)17-14(18-13)9-3-2-4-10(15)7-9/h2-8,16H,1H3.
What are the key properties of 2-(3-fluorophenyl)-N-methyl-1,3-benzoxazol-5-amine?
2-(3-fluorophenyl)-N-methyl-1,3-benzoxazol-5-amine has a molecular weight of 242.25 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-methyl-1,3-benzoxazol-5-amine is sourced from PubChem (CID 91676646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).