2-[(3S)-1-[3-(1-methylpyrazol-4-yl)propyl]piperidin-3-yl]-1,3-benzoxazole

C19H24N4O — CID 95585766

IUPAC2-[(3S)-1-[3-(1-methylpyrazol-4-yl)propyl]piperidin-3-yl]-1,3-benzoxazole
SMILESCn1cc(CCCN2CCC[C@H](c3nc4ccccc4o3)C2)cn1
InChIInChI=1S/C19H24N4O/c1-22-13-15(12-20-22)6-4-10-23-11-5-7-16(14-23)19-21-17-8-2-3-9-18(17)24-19/h2-3,8-9,12-13,16H,4-7,10-11,14H2,1H3/t16-/m0/s1
InChIKeyFWBWIFKUXVXCED-INIZCTEOSA-N
MW324.43 g/mol
LogP3.37
Rot. Bonds5

About 2-[(3S)-1-[3-(1-methylpyrazol-4-yl)propyl]piperidin-3-yl]-1,3-benzoxazole

2-[(3S)-1-[3-(1-methylpyrazol-4-yl)propyl]piperidin-3-yl]-1,3-benzoxazole (PubChem CID 95585766) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 2-[(3S)-1-[3-(1-methylpyrazol-4-yl)propyl]piperidin-3-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[(3S)-1-[3-(1-methylpyrazol-4-yl)propyl]piperidin-3-yl]-1,3-benzoxazole
PubChem CID95585766
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name2-[(3S)-1-[3-(1-methylpyrazol-4-yl)propyl]piperidin-3-yl]-1,3-benzoxazole
SMILESCn1cc(CCCN2CCC[C@H](c3nc4ccccc4o3)C2)cn1
InChIInChI=1S/C19H24N4O/c1-22-13-15(12-20-22)6-4-10-23-11-5-7-16(14-23)19-21-17-8-2-3-9-18(17)24-19/h2-3,8-9,12-13,16H,4-7,10-11,14H2,1H3/t16-/m0/s1
InChIKeyFWBWIFKUXVXCED-INIZCTEOSA-N
XLogP3.37
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(2-methoxyethyl)piperidin-3-yl]-1,3-benzoxazole
CID 86984025
[4-[[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]phenyl]methanol
CID 110009367
2-[1-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-1,3-benzoxazole
CID 126767222
2-[(3S)-1-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-1,3-benzoxazole
CID 25373315
2-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-1,3-benzoxazole
CID 126811031
2-[2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]ethyl]-3H-quinazolin-4-one
CID 136895970
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]-1,3-benzoxazole
CID 42960378
2-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(ethylcarbamoyl)acetamide
CID 31986183
2-[1-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-1,3-benzoxazole
CID 126786710
N-[4-[[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]phenyl]acetamide
CID 95129574
2-[[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]-4,5-dichloropyridazin-3-one
CID 47028629
2-[[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 47060523

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-[3-(1-methylpyrazol-4-yl)propyl]piperidin-3-yl]-1,3-benzoxazole?
The IUPAC name of 2-[(3S)-1-[3-(1-methylpyrazol-4-yl)propyl]piperidin-3-yl]-1,3-benzoxazole (CID 95585766) is 2-[(3S)-1-[3-(1-methylpyrazol-4-yl)propyl]piperidin-3-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[(3S)-1-[3-(1-methylpyrazol-4-yl)propyl]piperidin-3-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[(3S)-1-[3-(1-methylpyrazol-4-yl)propyl]piperidin-3-yl]-1,3-benzoxazole is Cn1cc(CCCN2CCC[C@H](c3nc4ccccc4o3)C2)cn1.
What is the InChIKey of 2-[(3S)-1-[3-(1-methylpyrazol-4-yl)propyl]piperidin-3-yl]-1,3-benzoxazole?
The InChIKey is FWBWIFKUXVXCED-INIZCTEOSA-N. The full InChI is InChI=1S/C19H24N4O/c1-22-13-15(12-20-22)6-4-10-23-11-5-7-16(14-23)19-21-17-8-2-3-9-18(17)24-19/h2-3,8-9,12-13,16H,4-7,10-11,14H2,1H3/t16-/m0/s1.
What are the key properties of 2-[(3S)-1-[3-(1-methylpyrazol-4-yl)propyl]piperidin-3-yl]-1,3-benzoxazole?
2-[(3S)-1-[3-(1-methylpyrazol-4-yl)propyl]piperidin-3-yl]-1,3-benzoxazole has a molecular weight of 324.43 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-[3-(1-methylpyrazol-4-yl)propyl]piperidin-3-yl]-1,3-benzoxazole is sourced from PubChem (CID 95585766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).