N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanamide

C16H18ClN3O3 — CID 110004207

IUPACN-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(C2CC2)no1)NC(CO)c1ccc(Cl)cc1
InChIInChI=1S/C16H18ClN3O3/c17-12-5-3-10(4-6-12)13(9-21)18-14(22)7-8-15-19-16(20-23-15)11-1-2-11/h3-6,11,13,21H,1-2,7-9H2,(H,18,22)
InChIKeyVQIGXGZGLLWLNA-UHFFFAOYSA-N
MW335.79 g/mol
LogP2.38
Rot. Bonds7

About N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanamide

N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 110004207) has the molecular formula C16H18ClN3O3 and a molecular weight of 335.79 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID110004207
Molecular FormulaC16H18ClN3O3
Molecular Weight335.79 g/mol
Exact Mass335.10
IUPAC NameN-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(C2CC2)no1)NC(CO)c1ccc(Cl)cc1
InChIInChI=1S/C16H18ClN3O3/c17-12-5-3-10(4-6-12)13(9-21)18-14(22)7-8-15-19-16(20-23-15)11-1-2-11/h3-6,11,13,21H,1-2,7-9H2,(H,18,22)
InChIKeyVQIGXGZGLLWLNA-UHFFFAOYSA-N
XLogP2.38
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanamide (CID 110004207) is N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanamide is O=C(CCc1nc(C2CC2)no1)NC(CO)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is VQIGXGZGLLWLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O3/c17-12-5-3-10(4-6-12)13(9-21)18-14(22)7-8-15-19-16(20-23-15)11-1-2-11/h3-6,11,13,21H,1-2,7-9H2,(H,18,22).
What are the key properties of N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanamide?
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 335.79 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 110004207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).