3-chloro-N-[(1R)-1-[3-(2-cyclopropyl-4-pyridinyl)-1,2-oxazol-5-yl]ethyl]benzamide

C20H18ClN3O2 — CID 166760952

IUPAC3-chloro-N-[(1R)-1-[3-(2-cyclopropyl-4-pyridinyl)-1,2-oxazol-5-yl]ethyl]benzamide
SMILESC[C@@H](NC(=O)c1cccc(Cl)c1)c1cc(-c2ccnc(C3CC3)c2)no1
InChIInChI=1S/C20H18ClN3O2/c1-12(23-20(25)15-3-2-4-16(21)9-15)19-11-18(24-26-19)14-7-8-22-17(10-14)13-5-6-13/h2-4,7-13H,5-6H2,1H3,(H,23,25)/t12-/m1/s1
InChIKeyWZYHJMVGKIYSPQ-GFCCVEGCSA-N
MW367.84 g/mol
LogP4.76
Rot. Bonds5

About 3-chloro-N-[(1R)-1-[3-(2-cyclopropyl-4-pyridinyl)-1,2-oxazol-5-yl]ethyl]benzamide

3-chloro-N-[(1R)-1-[3-(2-cyclopropyl-4-pyridinyl)-1,2-oxazol-5-yl]ethyl]benzamide (PubChem CID 166760952) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is 3-chloro-N-[(1R)-1-[3-(2-cyclopropyl-4-pyridinyl)-1,2-oxazol-5-yl]ethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[(1R)-1-[3-(2-cyclopropyl-4-pyridinyl)-1,2-oxazol-5-yl]ethyl]benzamide
PubChem CID166760952
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC Name3-chloro-N-[(1R)-1-[3-(2-cyclopropyl-4-pyridinyl)-1,2-oxazol-5-yl]ethyl]benzamide
SMILESC[C@@H](NC(=O)c1cccc(Cl)c1)c1cc(-c2ccnc(C3CC3)c2)no1
InChIInChI=1S/C20H18ClN3O2/c1-12(23-20(25)15-3-2-4-16(21)9-15)19-11-18(24-26-19)14-7-8-22-17(10-14)13-5-6-13/h2-4,7-13H,5-6H2,1H3,(H,23,25)/t12-/m1/s1
InChIKeyWZYHJMVGKIYSPQ-GFCCVEGCSA-N
XLogP4.76
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1R)-1-[3-(2-cyclopropyl-4-pyridinyl)-1,2-oxazol-5-yl]ethyl]benzamide?
The IUPAC name of 3-chloro-N-[(1R)-1-[3-(2-cyclopropyl-4-pyridinyl)-1,2-oxazol-5-yl]ethyl]benzamide (CID 166760952) is 3-chloro-N-[(1R)-1-[3-(2-cyclopropyl-4-pyridinyl)-1,2-oxazol-5-yl]ethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[(1R)-1-[3-(2-cyclopropyl-4-pyridinyl)-1,2-oxazol-5-yl]ethyl]benzamide?
The canonical SMILES for 3-chloro-N-[(1R)-1-[3-(2-cyclopropyl-4-pyridinyl)-1,2-oxazol-5-yl]ethyl]benzamide is C[C@@H](NC(=O)c1cccc(Cl)c1)c1cc(-c2ccnc(C3CC3)c2)no1.
What is the InChIKey of 3-chloro-N-[(1R)-1-[3-(2-cyclopropyl-4-pyridinyl)-1,2-oxazol-5-yl]ethyl]benzamide?
The InChIKey is WZYHJMVGKIYSPQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c1-12(23-20(25)15-3-2-4-16(21)9-15)19-11-18(24-26-19)14-7-8-22-17(10-14)13-5-6-13/h2-4,7-13H,5-6H2,1H3,(H,23,25)/t12-/m1/s1.
What are the key properties of 3-chloro-N-[(1R)-1-[3-(2-cyclopropyl-4-pyridinyl)-1,2-oxazol-5-yl]ethyl]benzamide?
3-chloro-N-[(1R)-1-[3-(2-cyclopropyl-4-pyridinyl)-1,2-oxazol-5-yl]ethyl]benzamide has a molecular weight of 367.84 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1R)-1-[3-(2-cyclopropyl-4-pyridinyl)-1,2-oxazol-5-yl]ethyl]benzamide is sourced from PubChem (CID 166760952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).