5-fluoro-2-(4-methylpiperidin-4-yl)-4,5-dihydro-1,3-benzoxazole

C13H17FN2O — CID 143792169

IUPAC5-fluoro-2-(4-methylpiperidin-4-yl)-4,5-dihydro-1,3-benzoxazole
SMILESCC1(c2nc3c(o2)C=CC(F)C3)CCNCC1
InChIInChI=1S/C13H17FN2O/c1-13(4-6-15-7-5-13)12-16-10-8-9(14)2-3-11(10)17-12/h2-3,9,15H,4-8H2,1H3
InChIKeyMIOVRWOLQJYCRY-UHFFFAOYSA-N
MW236.29 g/mol
LogP2.22
Rot. Bonds1

About 5-fluoro-2-(4-methylpiperidin-4-yl)-4,5-dihydro-1,3-benzoxazole

5-fluoro-2-(4-methylpiperidin-4-yl)-4,5-dihydro-1,3-benzoxazole (PubChem CID 143792169) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 5-fluoro-2-(4-methylpiperidin-4-yl)-4,5-dihydro-1,3-benzoxazole.

Molecular Properties

Compound Name5-fluoro-2-(4-methylpiperidin-4-yl)-4,5-dihydro-1,3-benzoxazole
PubChem CID143792169
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name5-fluoro-2-(4-methylpiperidin-4-yl)-4,5-dihydro-1,3-benzoxazole
SMILESCC1(c2nc3c(o2)C=CC(F)C3)CCNCC1
InChIInChI=1S/C13H17FN2O/c1-13(4-6-15-7-5-13)12-16-10-8-9(14)2-3-11(10)17-12/h2-3,9,15H,4-8H2,1H3
InChIKeyMIOVRWOLQJYCRY-UHFFFAOYSA-N
XLogP2.22
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Fluoro-2-piperidin-4-yl-6,7-dihydro-1,3-benzoxazole
CID 89672712
N-[4-[5-(trifluoromethyl)-4,5-dihydro-1,3-benzoxazol-2-yl]-1,2-dihydropyridin-5-yl]acetamide
CID 162558490
2,4,4,5,5-Pentamethyl-1,3-benzoxazole
CID 69667197
5-ethenyl-2-piperidin-4-yl-4-[(Z)-prop-1-enyl]-1,3-oxazole
CID 89901258
2,4-Dimethyl-4,5-dihydro-1,3-benzoxazole;propane
CID 145224822
carbanide;2-piperidin-4-yl-5H-1,3-benzoxazol-5-ide;tungsten(2+)
CID 155572340
4-(4,5-dihydro-1,3-benzoxazol-2-yl)-1-N-(3-methoxycyclohexa-1,3-dien-1-yl)cyclohexa-2,4-diene-1,2-diamine
CID 163569965
2,5-dimethyl-4H-1,3-benzoxazol-5-amine
CID 169853663

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(4-methylpiperidin-4-yl)-4,5-dihydro-1,3-benzoxazole?
The IUPAC name of 5-fluoro-2-(4-methylpiperidin-4-yl)-4,5-dihydro-1,3-benzoxazole (CID 143792169) is 5-fluoro-2-(4-methylpiperidin-4-yl)-4,5-dihydro-1,3-benzoxazole.
What is the SMILES notation for 5-fluoro-2-(4-methylpiperidin-4-yl)-4,5-dihydro-1,3-benzoxazole?
The canonical SMILES for 5-fluoro-2-(4-methylpiperidin-4-yl)-4,5-dihydro-1,3-benzoxazole is CC1(c2nc3c(o2)C=CC(F)C3)CCNCC1.
What is the InChIKey of 5-fluoro-2-(4-methylpiperidin-4-yl)-4,5-dihydro-1,3-benzoxazole?
The InChIKey is MIOVRWOLQJYCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-13(4-6-15-7-5-13)12-16-10-8-9(14)2-3-11(10)17-12/h2-3,9,15H,4-8H2,1H3.
What are the key properties of 5-fluoro-2-(4-methylpiperidin-4-yl)-4,5-dihydro-1,3-benzoxazole?
5-fluoro-2-(4-methylpiperidin-4-yl)-4,5-dihydro-1,3-benzoxazole has a molecular weight of 236.29 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(4-methylpiperidin-4-yl)-4,5-dihydro-1,3-benzoxazole is sourced from PubChem (CID 143792169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).