3-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-6-fluoro-1,2-benzoxazole

C19H19FN4O — CID 163344432

IUPAC3-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-6-fluoro-1,2-benzoxazole
SMILESFc1ccc2c(C3CCN(c4ccnc(C5CC5)n4)CC3)noc2c1
InChIInChI=1S/C19H19FN4O/c20-14-3-4-15-16(11-14)25-23-18(15)12-6-9-24(10-7-12)17-5-8-21-19(22-17)13-1-2-13/h3-5,8,11-13H,1-2,6-7,9-10H2
InChIKeyUBXQCBSGPZDGBU-UHFFFAOYSA-N
MW338.39 g/mol
LogP4.02
Rot. Bonds3

About 3-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-6-fluoro-1,2-benzoxazole

3-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-6-fluoro-1,2-benzoxazole (PubChem CID 163344432) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is 3-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-6-fluoro-1,2-benzoxazole.

Molecular Properties

Compound Name3-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-6-fluoro-1,2-benzoxazole
PubChem CID163344432
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC Name3-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-6-fluoro-1,2-benzoxazole
SMILESFc1ccc2c(C3CCN(c4ccnc(C5CC5)n4)CC3)noc2c1
InChIInChI=1S/C19H19FN4O/c20-14-3-4-15-16(11-14)25-23-18(15)12-6-9-24(10-7-12)17-5-8-21-19(22-17)13-1-2-13/h3-5,8,11-13H,1-2,6-7,9-10H2
InChIKeyUBXQCBSGPZDGBU-UHFFFAOYSA-N
XLogP4.02
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-6-fluoro-1,2-benzoxazole
CID 155980403
6-fluoro-3-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-1,2-benzoxazole
CID 138038804
3-(1-chloropiperidin-4-yl)-6-fluoro-1,2-benzoxazole
CID 89080294
6-fluoro-3-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-1,2-benzoxazole
CID 163344185
6-fluoro-3-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-1,2-benzoxazole
CID 138038779
4-(azetidin-1-yl)-2-cyclopropylpyrimidine
CID 131087729
6-fluoro-3-[1-(3-methoxy-4-methyl-2-propoxyphenyl)piperidin-4-yl]-1,2-benzoxazole
CID 57303749
(Z)-2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]but-2-enedioic acid
CID 67070819
6-fluoro-3-[1-(3-pyrimidin-2-yloxypropyl)piperidin-4-yl]-1,2-benzoxazole
CID 15384967
6-fluoro-3-(1-methylpiperidin-4-yl)-1,2-benzoxazole;6-fluoro-3-piperidin-4-yl-1,2-benzoxazole;methane;hydrochloride
CID 159928028
1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]prop-2-en-1-one
CID 127267392
6-fluoro-3-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-1,2-benzoxazole
CID 163352050

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-6-fluoro-1,2-benzoxazole?
The IUPAC name of 3-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-6-fluoro-1,2-benzoxazole (CID 163344432) is 3-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-6-fluoro-1,2-benzoxazole.
What is the SMILES notation for 3-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-6-fluoro-1,2-benzoxazole?
The canonical SMILES for 3-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-6-fluoro-1,2-benzoxazole is Fc1ccc2c(C3CCN(c4ccnc(C5CC5)n4)CC3)noc2c1.
What is the InChIKey of 3-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-6-fluoro-1,2-benzoxazole?
The InChIKey is UBXQCBSGPZDGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O/c20-14-3-4-15-16(11-14)25-23-18(15)12-6-9-24(10-7-12)17-5-8-21-19(22-17)13-1-2-13/h3-5,8,11-13H,1-2,6-7,9-10H2.
What are the key properties of 3-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-6-fluoro-1,2-benzoxazole?
3-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-6-fluoro-1,2-benzoxazole has a molecular weight of 338.39 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-6-fluoro-1,2-benzoxazole is sourced from PubChem (CID 163344432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).