2,3-dimethyl-N-[(2S,4S)-2-(1-methylpyrazol-4-yl)oxan-4-yl]benzamide

C18H23N3O2 — CID 125419795

IUPAC2,3-dimethyl-N-[(2S,4S)-2-(1-methylpyrazol-4-yl)oxan-4-yl]benzamide
SMILESCc1cccc(C(=O)N[C@H]2CCO[C@H](c3cnn(C)c3)C2)c1C
InChIInChI=1S/C18H23N3O2/c1-12-5-4-6-16(13(12)2)18(22)20-15-7-8-23-17(9-15)14-10-19-21(3)11-14/h4-6,10-11,15,17H,7-9H2,1-3H3,(H,20,22)/t15-,17-/m0/s1
InChIKeyPCOJKGOCLZYVTI-RDJZCZTQSA-N
MW313.40 g/mol
LogP2.69
Rot. Bonds3

About 2,3-dimethyl-N-[(2S,4S)-2-(1-methylpyrazol-4-yl)oxan-4-yl]benzamide

2,3-dimethyl-N-[(2S,4S)-2-(1-methylpyrazol-4-yl)oxan-4-yl]benzamide (PubChem CID 125419795) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2,3-dimethyl-N-[(2S,4S)-2-(1-methylpyrazol-4-yl)oxan-4-yl]benzamide.

Molecular Properties

Compound Name2,3-dimethyl-N-[(2S,4S)-2-(1-methylpyrazol-4-yl)oxan-4-yl]benzamide
PubChem CID125419795
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name2,3-dimethyl-N-[(2S,4S)-2-(1-methylpyrazol-4-yl)oxan-4-yl]benzamide
SMILESCc1cccc(C(=O)N[C@H]2CCO[C@H](c3cnn(C)c3)C2)c1C
InChIInChI=1S/C18H23N3O2/c1-12-5-4-6-16(13(12)2)18(22)20-15-7-8-23-17(9-15)14-10-19-21(3)11-14/h4-6,10-11,15,17H,7-9H2,1-3H3,(H,20,22)/t15-,17-/m0/s1
InChIKeyPCOJKGOCLZYVTI-RDJZCZTQSA-N
XLogP2.69
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[2-(1-methylpyrazol-4-yl)oxan-4-yl]acetamide
CID 146094430
1-[(1-methylpyrazol-4-yl)methyl]-3-(2-phenyloxan-4-yl)urea
CID 86793272
N-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-2,3-dimethylbenzamide
CID 43603844
4-(4-bromooxan-2-yl)-1-methylpyrazole
CID 157045046
N-[(2S,4R)-2-(3-methylimidazol-4-yl)oxan-4-yl]quinoxaline-5-carboxamide
CID 129340184
2,3-dimethyl-N-(5-methylpiperidin-3-yl)benzamide
CID 107585123
3-amino-2-methyl-N-(2-methyloxan-4-yl)benzamide
CID 114107036
3-bromo-2-methyl-N-(2-methyloxan-4-yl)benzamide
CID 113346376
4-methyl-N-[2-(1-methylpyrazol-4-yl)oxan-4-yl]-3-nitropyridin-2-amine
CID 154763477
2,3-dimethyl-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]benzamide
CID 95765797
N-[2-[(2S,4R)-4-acetamidooxan-2-yl]phenyl]-1-methylpyrazole-4-carboxamide
CID 110129919
N-[2-(1-methylpyrazol-4-yl)oxan-4-yl]-3-nitropyridin-2-amine
CID 126823574

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[(2S,4S)-2-(1-methylpyrazol-4-yl)oxan-4-yl]benzamide?
The IUPAC name of 2,3-dimethyl-N-[(2S,4S)-2-(1-methylpyrazol-4-yl)oxan-4-yl]benzamide (CID 125419795) is 2,3-dimethyl-N-[(2S,4S)-2-(1-methylpyrazol-4-yl)oxan-4-yl]benzamide.
What is the SMILES notation for 2,3-dimethyl-N-[(2S,4S)-2-(1-methylpyrazol-4-yl)oxan-4-yl]benzamide?
The canonical SMILES for 2,3-dimethyl-N-[(2S,4S)-2-(1-methylpyrazol-4-yl)oxan-4-yl]benzamide is Cc1cccc(C(=O)N[C@H]2CCO[C@H](c3cnn(C)c3)C2)c1C.
What is the InChIKey of 2,3-dimethyl-N-[(2S,4S)-2-(1-methylpyrazol-4-yl)oxan-4-yl]benzamide?
The InChIKey is PCOJKGOCLZYVTI-RDJZCZTQSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-12-5-4-6-16(13(12)2)18(22)20-15-7-8-23-17(9-15)14-10-19-21(3)11-14/h4-6,10-11,15,17H,7-9H2,1-3H3,(H,20,22)/t15-,17-/m0/s1.
What are the key properties of 2,3-dimethyl-N-[(2S,4S)-2-(1-methylpyrazol-4-yl)oxan-4-yl]benzamide?
2,3-dimethyl-N-[(2S,4S)-2-(1-methylpyrazol-4-yl)oxan-4-yl]benzamide has a molecular weight of 313.40 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[(2S,4S)-2-(1-methylpyrazol-4-yl)oxan-4-yl]benzamide is sourced from PubChem (CID 125419795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).