4-chloro-N-[3-[[2-(5-cyclopropyl-1,2-oxazol-3-yl)acetyl]amino]cyclobutyl]pent-4-enamide

C17H22ClN3O3 — CID 166370022

IUPAC4-chloro-N-[3-[[2-(5-cyclopropyl-1,2-oxazol-3-yl)acetyl]amino]cyclobutyl]pent-4-enamide
SMILESC=C(Cl)CCC(=O)NC1CC(NC(=O)Cc2cc(C3CC3)on2)C1
InChIInChI=1S/C17H22ClN3O3/c1-10(18)2-5-16(22)19-12-6-13(7-12)20-17(23)9-14-8-15(24-21-14)11-3-4-11/h8,11-13H,1-7,9H2,(H,19,22)(H,20,23)
InChIKeyCYCPSSMRIYGTLV-UHFFFAOYSA-N
MW351.83 g/mol
LogP2.39
Rot. Bonds8

About 4-chloro-N-[3-[[2-(5-cyclopropyl-1,2-oxazol-3-yl)acetyl]amino]cyclobutyl]pent-4-enamide

4-chloro-N-[3-[[2-(5-cyclopropyl-1,2-oxazol-3-yl)acetyl]amino]cyclobutyl]pent-4-enamide (PubChem CID 166370022) has the molecular formula C17H22ClN3O3 and a molecular weight of 351.83 g/mol. Its IUPAC name is 4-chloro-N-[3-[[2-(5-cyclopropyl-1,2-oxazol-3-yl)acetyl]amino]cyclobutyl]pent-4-enamide.

Molecular Properties

Compound Name4-chloro-N-[3-[[2-(5-cyclopropyl-1,2-oxazol-3-yl)acetyl]amino]cyclobutyl]pent-4-enamide
PubChem CID166370022
Molecular FormulaC17H22ClN3O3
Molecular Weight351.83 g/mol
Exact Mass351.13
IUPAC Name4-chloro-N-[3-[[2-(5-cyclopropyl-1,2-oxazol-3-yl)acetyl]amino]cyclobutyl]pent-4-enamide
SMILESC=C(Cl)CCC(=O)NC1CC(NC(=O)Cc2cc(C3CC3)on2)C1
InChIInChI=1S/C17H22ClN3O3/c1-10(18)2-5-16(22)19-12-6-13(7-12)20-17(23)9-14-8-15(24-21-14)11-3-4-11/h8,11-13H,1-7,9H2,(H,19,22)(H,20,23)
InChIKeyCYCPSSMRIYGTLV-UHFFFAOYSA-N
XLogP2.39
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.83
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-[[2-(5-cyclopropyl-1,2-oxazol-3-yl)acetyl]amino]cyclobutyl]pent-4-enamide?
The IUPAC name of 4-chloro-N-[3-[[2-(5-cyclopropyl-1,2-oxazol-3-yl)acetyl]amino]cyclobutyl]pent-4-enamide (CID 166370022) is 4-chloro-N-[3-[[2-(5-cyclopropyl-1,2-oxazol-3-yl)acetyl]amino]cyclobutyl]pent-4-enamide.
What is the SMILES notation for 4-chloro-N-[3-[[2-(5-cyclopropyl-1,2-oxazol-3-yl)acetyl]amino]cyclobutyl]pent-4-enamide?
The canonical SMILES for 4-chloro-N-[3-[[2-(5-cyclopropyl-1,2-oxazol-3-yl)acetyl]amino]cyclobutyl]pent-4-enamide is C=C(Cl)CCC(=O)NC1CC(NC(=O)Cc2cc(C3CC3)on2)C1.
What is the InChIKey of 4-chloro-N-[3-[[2-(5-cyclopropyl-1,2-oxazol-3-yl)acetyl]amino]cyclobutyl]pent-4-enamide?
The InChIKey is CYCPSSMRIYGTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O3/c1-10(18)2-5-16(22)19-12-6-13(7-12)20-17(23)9-14-8-15(24-21-14)11-3-4-11/h8,11-13H,1-7,9H2,(H,19,22)(H,20,23).
What are the key properties of 4-chloro-N-[3-[[2-(5-cyclopropyl-1,2-oxazol-3-yl)acetyl]amino]cyclobutyl]pent-4-enamide?
4-chloro-N-[3-[[2-(5-cyclopropyl-1,2-oxazol-3-yl)acetyl]amino]cyclobutyl]pent-4-enamide has a molecular weight of 351.83 g/mol, XLogP of 2.39, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-[[2-(5-cyclopropyl-1,2-oxazol-3-yl)acetyl]amino]cyclobutyl]pent-4-enamide is sourced from PubChem (CID 166370022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).