4-chloro-N-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]-3-oxopropyl]benzamide

C16H17ClN4O3 — CID 47063304

IUPAC4-chloro-N-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Cl)cc1)NCc1nc(C2CC2)no1
InChIInChI=1S/C16H17ClN4O3/c17-12-5-3-11(4-6-12)16(23)18-8-7-13(22)19-9-14-20-15(21-24-14)10-1-2-10/h3-6,10H,1-2,7-9H2,(H,18,23)(H,19,22)
InChIKeyQQSMLOGXDLARPL-UHFFFAOYSA-N
MW348.79 g/mol
LogP2.04
Rot. Bonds7

About 4-chloro-N-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]-3-oxopropyl]benzamide

4-chloro-N-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]-3-oxopropyl]benzamide (PubChem CID 47063304) has the molecular formula C16H17ClN4O3 and a molecular weight of 348.79 g/mol. Its IUPAC name is 4-chloro-N-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]-3-oxopropyl]benzamide
PubChem CID47063304
Molecular FormulaC16H17ClN4O3
Molecular Weight348.79 g/mol
Exact Mass348.10
IUPAC Name4-chloro-N-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Cl)cc1)NCc1nc(C2CC2)no1
InChIInChI=1S/C16H17ClN4O3/c17-12-5-3-11(4-6-12)16(23)18-8-7-13(22)19-9-14-20-15(21-24-14)10-1-2-10/h3-6,10H,1-2,7-9H2,(H,18,23)(H,19,22)
InChIKeyQQSMLOGXDLARPL-UHFFFAOYSA-N
XLogP2.04
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]-3-oxopropyl]benzamide?
The IUPAC name of 4-chloro-N-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]-3-oxopropyl]benzamide (CID 47063304) is 4-chloro-N-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]-3-oxopropyl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]-3-oxopropyl]benzamide?
The canonical SMILES for 4-chloro-N-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]-3-oxopropyl]benzamide is O=C(CCNC(=O)c1ccc(Cl)cc1)NCc1nc(C2CC2)no1.
What is the InChIKey of 4-chloro-N-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]-3-oxopropyl]benzamide?
The InChIKey is QQSMLOGXDLARPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O3/c17-12-5-3-11(4-6-12)16(23)18-8-7-13(22)19-9-14-20-15(21-24-14)10-1-2-10/h3-6,10H,1-2,7-9H2,(H,18,23)(H,19,22).
What are the key properties of 4-chloro-N-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]-3-oxopropyl]benzamide?
4-chloro-N-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]-3-oxopropyl]benzamide has a molecular weight of 348.79 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]-3-oxopropyl]benzamide is sourced from PubChem (CID 47063304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).