4-cyclopropyl-3-(cyclopropylmethoxy)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]benzamide

C20H25N3O3 — CID 129216377

IUPAC4-cyclopropyl-3-(cyclopropylmethoxy)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]benzamide
SMILESCc1nc(C(C)(C)NC(=O)c2ccc(C3CC3)c(OCC3CC3)c2)no1
InChIInChI=1S/C20H25N3O3/c1-12-21-19(23-26-12)20(2,3)22-18(24)15-8-9-16(14-6-7-14)17(10-15)25-11-13-4-5-13/h8-10,13-14H,4-7,11H2,1-3H3,(H,22,24)
InChIKeyXMRXKAQDXCPDMP-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.71
Rot. Bonds7

About 4-cyclopropyl-3-(cyclopropylmethoxy)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]benzamide

4-cyclopropyl-3-(cyclopropylmethoxy)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]benzamide (PubChem CID 129216377) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 4-cyclopropyl-3-(cyclopropylmethoxy)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]benzamide.

Molecular Properties

Compound Name4-cyclopropyl-3-(cyclopropylmethoxy)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]benzamide
PubChem CID129216377
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name4-cyclopropyl-3-(cyclopropylmethoxy)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]benzamide
SMILESCc1nc(C(C)(C)NC(=O)c2ccc(C3CC3)c(OCC3CC3)c2)no1
InChIInChI=1S/C20H25N3O3/c1-12-21-19(23-26-12)20(2,3)22-18(24)15-8-9-16(14-6-7-14)17(10-15)25-11-13-4-5-13/h8-10,13-14H,4-7,11H2,1-3H3,(H,22,24)
InChIKeyXMRXKAQDXCPDMP-UHFFFAOYSA-N
XLogP3.71
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-3-(cyclopropylmethoxy)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]benzamide?
The IUPAC name of 4-cyclopropyl-3-(cyclopropylmethoxy)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]benzamide (CID 129216377) is 4-cyclopropyl-3-(cyclopropylmethoxy)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]benzamide.
What is the SMILES notation for 4-cyclopropyl-3-(cyclopropylmethoxy)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]benzamide?
The canonical SMILES for 4-cyclopropyl-3-(cyclopropylmethoxy)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]benzamide is Cc1nc(C(C)(C)NC(=O)c2ccc(C3CC3)c(OCC3CC3)c2)no1.
What is the InChIKey of 4-cyclopropyl-3-(cyclopropylmethoxy)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]benzamide?
The InChIKey is XMRXKAQDXCPDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-12-21-19(23-26-12)20(2,3)22-18(24)15-8-9-16(14-6-7-14)17(10-15)25-11-13-4-5-13/h8-10,13-14H,4-7,11H2,1-3H3,(H,22,24).
What are the key properties of 4-cyclopropyl-3-(cyclopropylmethoxy)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]benzamide?
4-cyclopropyl-3-(cyclopropylmethoxy)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]benzamide has a molecular weight of 355.44 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-3-(cyclopropylmethoxy)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]benzamide is sourced from PubChem (CID 129216377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).