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

C22H29N3O3 — CID 129216412

IUPAC4-cyclopropyl-N-[(2S)-1-cyclopropyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-3-propan-2-yloxybenzamide
SMILESCc1nc([C@](C)(CC2CC2)NC(=O)c2ccc(C3CC3)c(OC(C)C)c2)no1
InChIInChI=1S/C22H29N3O3/c1-13(2)27-19-11-17(9-10-18(19)16-7-8-16)20(26)24-22(4,12-15-5-6-15)21-23-14(3)28-25-21/h9-11,13,15-16H,5-8,12H2,1-4H3,(H,24,26)/t22-/m0/s1
InChIKeySDPNSVDEKMARAF-QFIPXVFZSA-N
MW383.49 g/mol
LogP4.49
Rot. Bonds8

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

4-cyclopropyl-N-[(2S)-1-cyclopropyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-3-propan-2-yloxybenzamide (PubChem CID 129216412) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 4-cyclopropyl-N-[(2S)-1-cyclopropyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-3-propan-2-yloxybenzamide.

Molecular Properties

Compound Name4-cyclopropyl-N-[(2S)-1-cyclopropyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-3-propan-2-yloxybenzamide
PubChem CID129216412
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name4-cyclopropyl-N-[(2S)-1-cyclopropyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-3-propan-2-yloxybenzamide
SMILESCc1nc([C@](C)(CC2CC2)NC(=O)c2ccc(C3CC3)c(OC(C)C)c2)no1
InChIInChI=1S/C22H29N3O3/c1-13(2)27-19-11-17(9-10-18(19)16-7-8-16)20(26)24-22(4,12-15-5-6-15)21-23-14(3)28-25-21/h9-11,13,15-16H,5-8,12H2,1-4H3,(H,24,26)/t22-/m0/s1
InChIKeySDPNSVDEKMARAF-QFIPXVFZSA-N
XLogP4.49
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N-[(2S)-1-cyclopropyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-3-propan-2-yloxybenzamide?
The IUPAC name of 4-cyclopropyl-N-[(2S)-1-cyclopropyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-3-propan-2-yloxybenzamide (CID 129216412) is 4-cyclopropyl-N-[(2S)-1-cyclopropyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-3-propan-2-yloxybenzamide.
What is the SMILES notation for 4-cyclopropyl-N-[(2S)-1-cyclopropyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-3-propan-2-yloxybenzamide?
The canonical SMILES for 4-cyclopropyl-N-[(2S)-1-cyclopropyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-3-propan-2-yloxybenzamide is Cc1nc([C@](C)(CC2CC2)NC(=O)c2ccc(C3CC3)c(OC(C)C)c2)no1.
What is the InChIKey of 4-cyclopropyl-N-[(2S)-1-cyclopropyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-3-propan-2-yloxybenzamide?
The InChIKey is SDPNSVDEKMARAF-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-13(2)27-19-11-17(9-10-18(19)16-7-8-16)20(26)24-22(4,12-15-5-6-15)21-23-14(3)28-25-21/h9-11,13,15-16H,5-8,12H2,1-4H3,(H,24,26)/t22-/m0/s1.
What are the key properties of 4-cyclopropyl-N-[(2S)-1-cyclopropyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-3-propan-2-yloxybenzamide?
4-cyclopropyl-N-[(2S)-1-cyclopropyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-3-propan-2-yloxybenzamide has a molecular weight of 383.49 g/mol, XLogP of 4.49, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-N-[(2S)-1-cyclopropyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-3-propan-2-yloxybenzamide is sourced from PubChem (CID 129216412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).