5-chloro-3-[1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-1,3-benzoxazol-2-one

C18H19ClN4O3 — CID 110219556

IUPAC5-chloro-3-[1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-1,3-benzoxazol-2-one
SMILESO=C(CCn1cccn1)N1CCCC(n2c(=O)oc3ccc(Cl)cc32)C1
InChIInChI=1S/C18H19ClN4O3/c19-13-4-5-16-15(11-13)23(18(25)26-16)14-3-1-8-21(12-14)17(24)6-10-22-9-2-7-20-22/h2,4-5,7,9,11,14H,1,3,6,8,10,12H2
InChIKeyQALZOPAISMEDDO-UHFFFAOYSA-N
MW374.83 g/mol
LogP2.70
Rot. Bonds4

About 5-chloro-3-[1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-1,3-benzoxazol-2-one

5-chloro-3-[1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-1,3-benzoxazol-2-one (PubChem CID 110219556) has the molecular formula C18H19ClN4O3 and a molecular weight of 374.83 g/mol. Its IUPAC name is 5-chloro-3-[1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-chloro-3-[1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-1,3-benzoxazol-2-one
PubChem CID110219556
Molecular FormulaC18H19ClN4O3
Molecular Weight374.83 g/mol
Exact Mass374.11
IUPAC Name5-chloro-3-[1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-1,3-benzoxazol-2-one
SMILESO=C(CCn1cccn1)N1CCCC(n2c(=O)oc3ccc(Cl)cc32)C1
InChIInChI=1S/C18H19ClN4O3/c19-13-4-5-16-15(11-13)23(18(25)26-16)14-3-1-8-21(12-14)17(24)6-10-22-9-2-7-20-22/h2,4-5,7,9,11,14H,1,3,6,8,10,12H2
InChIKeyQALZOPAISMEDDO-UHFFFAOYSA-N
XLogP2.70
TPSA73.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.83
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-3-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1,3-benzoxazol-2-one
CID 46959716
3-[(3R)-1-(adamantane-1-carbonyl)piperidin-3-yl]-5-chloro-1,3-benzoxazol-2-one
CID 92571892
5-chloro-3-[(3S)-1-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperidin-3-yl]-1,3-benzoxazol-2-one
CID 95808212
5-chloro-3-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1,3-benzoxazol-2-one
CID 46959731
6-chloro-3-[3-[(3R)-3-methylpiperidin-1-yl]-3-oxopropyl]-1,3-benzoxazol-2-one
CID 41075219
5-chloro-3-[(3R)-1-(quinolin-2-ylmethyl)piperidin-3-yl]-1,3-benzoxazol-2-one
CID 92576656
1-piperidin-1-yl-3-pyrazol-1-ylpropan-1-one
CID 176931568
1-[3-(4-chlorophenyl)piperidin-1-yl]-2-pyrazol-1-ylethanone
CID 118765182
1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-3-pyrazol-1-ylpropan-1-one
CID 56743980
6-chloro-3-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-benzoxazol-2-one
CID 27670432
1-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-3-pyrazol-1-ylpropan-1-one
CID 95557612
3-[3-(azepan-1-yl)-3-oxopropyl]-6-chloro-1,3-benzoxazol-2-one
CID 9036821

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-1,3-benzoxazol-2-one?
The IUPAC name of 5-chloro-3-[1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-1,3-benzoxazol-2-one (CID 110219556) is 5-chloro-3-[1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-chloro-3-[1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-1,3-benzoxazol-2-one?
The canonical SMILES for 5-chloro-3-[1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-1,3-benzoxazol-2-one is O=C(CCn1cccn1)N1CCCC(n2c(=O)oc3ccc(Cl)cc32)C1.
What is the InChIKey of 5-chloro-3-[1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-1,3-benzoxazol-2-one?
The InChIKey is QALZOPAISMEDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O3/c19-13-4-5-16-15(11-13)23(18(25)26-16)14-3-1-8-21(12-14)17(24)6-10-22-9-2-7-20-22/h2,4-5,7,9,11,14H,1,3,6,8,10,12H2.
What are the key properties of 5-chloro-3-[1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-1,3-benzoxazol-2-one?
5-chloro-3-[1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-1,3-benzoxazol-2-one has a molecular weight of 374.83 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[1-(3-pyrazol-1-ylpropanoyl)piperidin-3-yl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 110219556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).