2-chloro-4-methyl-N-[2-(2-methylpyrazol-3-yl)oxan-4-yl]benzamide

C17H20ClN3O2 — CID 126815754

IUPAC2-chloro-4-methyl-N-[2-(2-methylpyrazol-3-yl)oxan-4-yl]benzamide
SMILESCc1ccc(C(=O)NC2CCOC(c3ccnn3C)C2)c(Cl)c1
InChIInChI=1S/C17H20ClN3O2/c1-11-3-4-13(14(18)9-11)17(22)20-12-6-8-23-16(10-12)15-5-7-19-21(15)2/h3-5,7,9,12,16H,6,8,10H2,1-2H3,(H,20,22)
InChIKeyBOSROKWZRDVAAZ-UHFFFAOYSA-N
MW333.82 g/mol
LogP3.03
Rot. Bonds3

About 2-chloro-4-methyl-N-[2-(2-methylpyrazol-3-yl)oxan-4-yl]benzamide

2-chloro-4-methyl-N-[2-(2-methylpyrazol-3-yl)oxan-4-yl]benzamide (PubChem CID 126815754) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-[2-(2-methylpyrazol-3-yl)oxan-4-yl]benzamide.

Molecular Properties

Compound Name2-chloro-4-methyl-N-[2-(2-methylpyrazol-3-yl)oxan-4-yl]benzamide
PubChem CID126815754
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Name2-chloro-4-methyl-N-[2-(2-methylpyrazol-3-yl)oxan-4-yl]benzamide
SMILESCc1ccc(C(=O)NC2CCOC(c3ccnn3C)C2)c(Cl)c1
InChIInChI=1S/C17H20ClN3O2/c1-11-3-4-13(14(18)9-11)17(22)20-12-6-8-23-16(10-12)15-5-7-19-21(15)2/h3-5,7,9,12,16H,6,8,10H2,1-2H3,(H,20,22)
InChIKeyBOSROKWZRDVAAZ-UHFFFAOYSA-N
XLogP3.03
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S,4S)-2-(2-methylpyrazol-3-yl)oxan-4-yl]-3-(5,6,7,8-tetrahydroquinolin-3-yl)urea
CID 129347498
3-ethyl-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]pyridine-4-carboxamide
CID 129339443
3,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)oxan-4-yl]thiophene-2-sulfonamide
CID 128588021
methyl 4-[(2-chloro-4-methylbenzoyl)amino]cyclohexane-1-carboxylate
CID 103581955
2-fluoro-4-methoxy-N-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]benzamide
CID 129492339
2,3-dimethyl-N-[(2S,4S)-2-(1-methylpyrazol-4-yl)oxan-4-yl]benzamide
CID 125419795
4-methyl-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]thiophene-3-carboxamide
CID 128966423
N-(2-aminocycloheptyl)-2-chloro-4-methylbenzamide
CID 106862132
5-chloro-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]thiophene-2-carboxamide
CID 128992160
1-[(2S,4S)-2-(3-methylimidazol-4-yl)oxan-4-yl]-3-(5-methyl-2-pyridinyl)urea
CID 129476958
2,4-dimethyl-N-(oxan-4-yl)benzamide
CID 70845723
N-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]quinoxaline-5-carboxamide
CID 129340184

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-N-[2-(2-methylpyrazol-3-yl)oxan-4-yl]benzamide?
The IUPAC name of 2-chloro-4-methyl-N-[2-(2-methylpyrazol-3-yl)oxan-4-yl]benzamide (CID 126815754) is 2-chloro-4-methyl-N-[2-(2-methylpyrazol-3-yl)oxan-4-yl]benzamide.
What is the SMILES notation for 2-chloro-4-methyl-N-[2-(2-methylpyrazol-3-yl)oxan-4-yl]benzamide?
The canonical SMILES for 2-chloro-4-methyl-N-[2-(2-methylpyrazol-3-yl)oxan-4-yl]benzamide is Cc1ccc(C(=O)NC2CCOC(c3ccnn3C)C2)c(Cl)c1.
What is the InChIKey of 2-chloro-4-methyl-N-[2-(2-methylpyrazol-3-yl)oxan-4-yl]benzamide?
The InChIKey is BOSROKWZRDVAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-11-3-4-13(14(18)9-11)17(22)20-12-6-8-23-16(10-12)15-5-7-19-21(15)2/h3-5,7,9,12,16H,6,8,10H2,1-2H3,(H,20,22).
What are the key properties of 2-chloro-4-methyl-N-[2-(2-methylpyrazol-3-yl)oxan-4-yl]benzamide?
2-chloro-4-methyl-N-[2-(2-methylpyrazol-3-yl)oxan-4-yl]benzamide has a molecular weight of 333.82 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-N-[2-(2-methylpyrazol-3-yl)oxan-4-yl]benzamide is sourced from PubChem (CID 126815754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).