azepan-1-yl-[4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazol-3-yl]methanone

C17H23ClN4O2 — CID 19442151

IUPACazepan-1-yl-[4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazol-3-yl]methanone
SMILESCc1nn(Cc2c(C(=O)N3CCCCCC3)noc2C)c(C)c1Cl
InChIInChI=1S/C17H23ClN4O2/c1-11-15(18)12(2)22(19-11)10-14-13(3)24-20-16(14)17(23)21-8-6-4-5-7-9-21/h4-10H2,1-3H3
InChIKeyDRDOKEWCSPIDKD-UHFFFAOYSA-N
MW350.85 g/mol
LogP3.51
Rot. Bonds3

About azepan-1-yl-[4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazol-3-yl]methanone

azepan-1-yl-[4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazol-3-yl]methanone (PubChem CID 19442151) has the molecular formula C17H23ClN4O2 and a molecular weight of 350.85 g/mol. Its IUPAC name is azepan-1-yl-[4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazol-3-yl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazol-3-yl]methanone
PubChem CID19442151
Molecular FormulaC17H23ClN4O2
Molecular Weight350.85 g/mol
Exact Mass350.15
IUPAC Nameazepan-1-yl-[4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazol-3-yl]methanone
SMILESCc1nn(Cc2c(C(=O)N3CCCCCC3)noc2C)c(C)c1Cl
InChIInChI=1S/C17H23ClN4O2/c1-11-15(18)12(2)22(19-11)10-14-13(3)24-20-16(14)17(23)21-8-6-4-5-7-9-21/h4-10H2,1-3H3
InChIKeyDRDOKEWCSPIDKD-UHFFFAOYSA-N
XLogP3.51
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazol-3-yl]-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19442315
[4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazol-3-yl]-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 19442394
4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19442181
4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 19442267
azepan-1-yl-[4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]thiophen-2-yl]methanone
CID 19494634
4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 19442268
N-[1-(4-tert-butylphenyl)ethyl]-4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19442275
(4-chloro-3-methyl-1,2-oxazol-5-yl)-piperidin-1-ylmethanone
CID 20868367
methyl 2-[[4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carbonyl]amino]-5-methylthiophene-3-carboxylate
CID 19442251
4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19442219
azepan-1-yl-[4-[(2,6-dimethylphenoxy)methyl]-5-methyl-1,2-oxazol-3-yl]methanone
CID 19486016
azepan-1-yl-[5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazol-3-yl]methanone
CID 19488187

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazol-3-yl]methanone?
The IUPAC name of azepan-1-yl-[4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazol-3-yl]methanone (CID 19442151) is azepan-1-yl-[4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazol-3-yl]methanone.
What is the SMILES notation for azepan-1-yl-[4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazol-3-yl]methanone?
The canonical SMILES for azepan-1-yl-[4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazol-3-yl]methanone is Cc1nn(Cc2c(C(=O)N3CCCCCC3)noc2C)c(C)c1Cl.
What is the InChIKey of azepan-1-yl-[4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazol-3-yl]methanone?
The InChIKey is DRDOKEWCSPIDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN4O2/c1-11-15(18)12(2)22(19-11)10-14-13(3)24-20-16(14)17(23)21-8-6-4-5-7-9-21/h4-10H2,1-3H3.
What are the key properties of azepan-1-yl-[4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazol-3-yl]methanone?
azepan-1-yl-[4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazol-3-yl]methanone has a molecular weight of 350.85 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 19442151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).