1-(5-chloro-1,3-benzoxazol-2-yl)-N-[2-(1H-pyrazol-5-yl)ethyl]piperidine-3-carboxamide

C18H20ClN5O2 — CID 154818376

IUPAC1-(5-chloro-1,3-benzoxazol-2-yl)-N-[2-(1H-pyrazol-5-yl)ethyl]piperidine-3-carboxamide
SMILESO=C(NCCc1ccn[nH]1)C1CCCN(c2nc3cc(Cl)ccc3o2)C1
InChIInChI=1S/C18H20ClN5O2/c19-13-3-4-16-15(10-13)22-18(26-16)24-9-1-2-12(11-24)17(25)20-7-5-14-6-8-21-23-14/h3-4,6,8,10,12H,1-2,5,7,9,11H2,(H,20,25)(H,21,23)
InChIKeyDKPMDZKHRQRLHC-UHFFFAOYSA-N
MW373.84 g/mol
LogP2.78
Rot. Bonds5

About 1-(5-chloro-1,3-benzoxazol-2-yl)-N-[2-(1H-pyrazol-5-yl)ethyl]piperidine-3-carboxamide

1-(5-chloro-1,3-benzoxazol-2-yl)-N-[2-(1H-pyrazol-5-yl)ethyl]piperidine-3-carboxamide (PubChem CID 154818376) has the molecular formula C18H20ClN5O2 and a molecular weight of 373.84 g/mol. Its IUPAC name is 1-(5-chloro-1,3-benzoxazol-2-yl)-N-[2-(1H-pyrazol-5-yl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-1,3-benzoxazol-2-yl)-N-[2-(1H-pyrazol-5-yl)ethyl]piperidine-3-carboxamide
PubChem CID154818376
Molecular FormulaC18H20ClN5O2
Molecular Weight373.84 g/mol
Exact Mass373.13
IUPAC Name1-(5-chloro-1,3-benzoxazol-2-yl)-N-[2-(1H-pyrazol-5-yl)ethyl]piperidine-3-carboxamide
SMILESO=C(NCCc1ccn[nH]1)C1CCCN(c2nc3cc(Cl)ccc3o2)C1
InChIInChI=1S/C18H20ClN5O2/c19-13-3-4-16-15(10-13)22-18(26-16)24-9-1-2-12(11-24)17(25)20-7-5-14-6-8-21-23-14/h3-4,6,8,10,12H,1-2,5,7,9,11H2,(H,20,25)(H,21,23)
InChIKeyDKPMDZKHRQRLHC-UHFFFAOYSA-N
XLogP2.78
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-chloro-1,3-benzoxazol-2-yl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine-3-carboxamide
CID 154567273
1-(5-chloro-1,3-benzoxazol-2-yl)-N-[2-(methanesulfonamido)ethyl]piperidine-3-carboxamide
CID 155497627
1-(5-chloro-1,3-benzoxazol-2-yl)-N-[[1-(methoxymethyl)cyclobutyl]methyl]piperidine-3-carboxamide
CID 155505078
[1-(5-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-thiomorpholin-4-ylmethanone
CID 155800806
1-(5-chloro-1,3-benzoxazol-2-yl)-N-(1-ethoxy-2-methylpropan-2-yl)piperidine-3-carboxamide;formic acid
CID 163333712
1-(1,3-benzoxazol-2-yl)-N-(3-ethoxypropyl)piperidine-3-carboxamide
CID 3654131
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
1-(5-chloro-1,3-benzoxazol-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 154817860
1-(1,3-benzoxazol-2-yl)-N-benzylpiperidine-3-carboxamide
CID 3622789
N-[2-(4-fluorophenyl)ethyl]-1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-3-carboxamide
CID 134792125
1-(5-chloro-1,3-benzoxazol-2-yl)-N-cyclopropylpiperidine-4-carboxamide
CID 163349240

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1,3-benzoxazol-2-yl)-N-[2-(1H-pyrazol-5-yl)ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-(5-chloro-1,3-benzoxazol-2-yl)-N-[2-(1H-pyrazol-5-yl)ethyl]piperidine-3-carboxamide (CID 154818376) is 1-(5-chloro-1,3-benzoxazol-2-yl)-N-[2-(1H-pyrazol-5-yl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(5-chloro-1,3-benzoxazol-2-yl)-N-[2-(1H-pyrazol-5-yl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(5-chloro-1,3-benzoxazol-2-yl)-N-[2-(1H-pyrazol-5-yl)ethyl]piperidine-3-carboxamide is O=C(NCCc1ccn[nH]1)C1CCCN(c2nc3cc(Cl)ccc3o2)C1.
What is the InChIKey of 1-(5-chloro-1,3-benzoxazol-2-yl)-N-[2-(1H-pyrazol-5-yl)ethyl]piperidine-3-carboxamide?
The InChIKey is DKPMDZKHRQRLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O2/c19-13-3-4-16-15(10-13)22-18(26-16)24-9-1-2-12(11-24)17(25)20-7-5-14-6-8-21-23-14/h3-4,6,8,10,12H,1-2,5,7,9,11H2,(H,20,25)(H,21,23).
What are the key properties of 1-(5-chloro-1,3-benzoxazol-2-yl)-N-[2-(1H-pyrazol-5-yl)ethyl]piperidine-3-carboxamide?
1-(5-chloro-1,3-benzoxazol-2-yl)-N-[2-(1H-pyrazol-5-yl)ethyl]piperidine-3-carboxamide has a molecular weight of 373.84 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1,3-benzoxazol-2-yl)-N-[2-(1H-pyrazol-5-yl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 154818376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).