N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N,1-dimethylpyrazole-4-carboxamide

C18H20ClN5O2 — CID 175650989

IUPACN-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N,1-dimethylpyrazole-4-carboxamide
SMILESCN(C(=O)c1cnn(C)c1)C1CCCN(c2nc3cc(Cl)ccc3o2)C1
InChIInChI=1S/C18H20ClN5O2/c1-22-10-12(9-20-22)17(25)23(2)14-4-3-7-24(11-14)18-21-15-8-13(19)5-6-16(15)26-18/h5-6,8-10,14H,3-4,7,11H2,1-2H3
InChIKeyJLYOUMBNGKBFSJ-UHFFFAOYSA-N
MW373.84 g/mol
LogP2.96
Rot. Bonds3

About N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N,1-dimethylpyrazole-4-carboxamide

N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N,1-dimethylpyrazole-4-carboxamide (PubChem CID 175650989) has the molecular formula C18H20ClN5O2 and a molecular weight of 373.84 g/mol. Its IUPAC name is N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N,1-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N,1-dimethylpyrazole-4-carboxamide
PubChem CID175650989
Molecular FormulaC18H20ClN5O2
Molecular Weight373.84 g/mol
Exact Mass373.13
IUPAC NameN-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N,1-dimethylpyrazole-4-carboxamide
SMILESCN(C(=O)c1cnn(C)c1)C1CCCN(c2nc3cc(Cl)ccc3o2)C1
InChIInChI=1S/C18H20ClN5O2/c1-22-10-12(9-20-22)17(25)23(2)14-4-3-7-24(11-14)18-21-15-8-13(19)5-6-16(15)26-18/h5-6,8-10,14H,3-4,7,11H2,1-2H3
InChIKeyJLYOUMBNGKBFSJ-UHFFFAOYSA-N
XLogP2.96
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-thiomorpholin-4-ylmethanone
CID 155800806
N-[1-(6-chloroquinoxalin-2-yl)piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide
CID 175651005
N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-methylpyrimidin-4-amine
CID 171997676
N-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]-N,1-dimethylpyrazole-4-carboxamide
CID 175649076
N,1-dimethyl-N-[1-(4-methylsulfonylphenyl)piperidin-3-yl]pyrazole-4-carboxamide
CID 175650104
1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-3-amine;hydrochloride
CID 90484315
5-chloro-2-pyrrolidin-1-yl-1,3-benzoxazole
CID 119084724
N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide
CID 175650040
N-[1-(4-cyanopyrimidin-2-yl)piperidin-3-yl]-N,1-dimethylpyrazole-4-carboxamide
CID 175649067
N-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-4-yl]-N,1-dimethylpyrazole-3-carboxamide
CID 172903728
N-[1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-N,1-dimethylpyrazole-4-carboxamide
CID 175650748
N-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide
CID 175650160

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N,1-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N,1-dimethylpyrazole-4-carboxamide (CID 175650989) is N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N,1-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N,1-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N,1-dimethylpyrazole-4-carboxamide is CN(C(=O)c1cnn(C)c1)C1CCCN(c2nc3cc(Cl)ccc3o2)C1.
What is the InChIKey of N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N,1-dimethylpyrazole-4-carboxamide?
The InChIKey is JLYOUMBNGKBFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O2/c1-22-10-12(9-20-22)17(25)23(2)14-4-3-7-24(11-14)18-21-15-8-13(19)5-6-16(15)26-18/h5-6,8-10,14H,3-4,7,11H2,1-2H3.
What are the key properties of N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N,1-dimethylpyrazole-4-carboxamide?
N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N,1-dimethylpyrazole-4-carboxamide has a molecular weight of 373.84 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N,1-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 175650989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).