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

C18H20ClN5O2 — CID 154567273

IUPAC1-(5-chloro-1,3-benzoxazol-2-yl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine-3-carboxamide
SMILESCc1cc(CNC(=O)C2CCCN(c3nc4cc(Cl)ccc4o3)C2)n[nH]1
InChIInChI=1S/C18H20ClN5O2/c1-11-7-14(23-22-11)9-20-17(25)12-3-2-6-24(10-12)18-21-15-8-13(19)4-5-16(15)26-18/h4-5,7-8,12H,2-3,6,9-10H2,1H3,(H,20,25)(H,22,23)
InChIKeyABVKUOWQRQKNEC-UHFFFAOYSA-N
MW373.84 g/mol
LogP3.05
Rot. Bonds4

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

1-(5-chloro-1,3-benzoxazol-2-yl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine-3-carboxamide (PubChem CID 154567273) 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-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-1,3-benzoxazol-2-yl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine-3-carboxamide
PubChem CID154567273
Molecular FormulaC18H20ClN5O2
Molecular Weight373.84 g/mol
Exact Mass373.13
IUPAC Name1-(5-chloro-1,3-benzoxazol-2-yl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine-3-carboxamide
SMILESCc1cc(CNC(=O)C2CCCN(c3nc4cc(Cl)ccc4o3)C2)n[nH]1
InChIInChI=1S/C18H20ClN5O2/c1-11-7-14(23-22-11)9-20-17(25)12-3-2-6-24(10-12)18-21-15-8-13(19)4-5-16(15)26-18/h4-5,7-8,12H,2-3,6,9-10H2,1H3,(H,20,25)(H,22,23)
InChIKeyABVKUOWQRQKNEC-UHFFFAOYSA-N
XLogP3.05
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-[2-(1H-pyrazol-5-yl)ethyl]piperidine-3-carboxamide
CID 154818376
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-benzylpiperidine-3-carboxamide
CID 3622789
(3R)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95553413
1-(5-chloro-1,3-benzoxazol-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 154817860
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
4-(5-chloro-1,3-benzoxazol-2-yl)-N-cyclopentylpiperazine-1-carboxamide
CID 71520912
5-[1-(5-chloro-1,3-benzoxazol-2-yl)piperidine-3-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonitrile
CID 154819824

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1,3-benzoxazol-2-yl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-(5-chloro-1,3-benzoxazol-2-yl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine-3-carboxamide (CID 154567273) is 1-(5-chloro-1,3-benzoxazol-2-yl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(5-chloro-1,3-benzoxazol-2-yl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(5-chloro-1,3-benzoxazol-2-yl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine-3-carboxamide is Cc1cc(CNC(=O)C2CCCN(c3nc4cc(Cl)ccc4o3)C2)n[nH]1.
What is the InChIKey of 1-(5-chloro-1,3-benzoxazol-2-yl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine-3-carboxamide?
The InChIKey is ABVKUOWQRQKNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O2/c1-11-7-14(23-22-11)9-20-17(25)12-3-2-6-24(10-12)18-21-15-8-13(19)4-5-16(15)26-18/h4-5,7-8,12H,2-3,6,9-10H2,1H3,(H,20,25)(H,22,23).
What are the key properties of 1-(5-chloro-1,3-benzoxazol-2-yl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine-3-carboxamide?
1-(5-chloro-1,3-benzoxazol-2-yl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine-3-carboxamide has a molecular weight of 373.84 g/mol, XLogP of 3.05, 4 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-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 154567273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).