oxan-4-yl 4-[cyclopropyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]piperidine-1-carboxylate

C24H29N3O5 — CID 73388333

IUPACoxan-4-yl 4-[cyclopropyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]piperidine-1-carboxylate
SMILESO=C(OC1CCOCC1)N1CCC(N(C(=O)c2ccc(-c3cnco3)cc2)C2CC2)CC1
InChIInChI=1S/C24H29N3O5/c28-23(18-3-1-17(2-4-18)22-15-25-16-31-22)27(19-5-6-19)20-7-11-26(12-8-20)24(29)32-21-9-13-30-14-10-21/h1-4,15-16,19-21H,5-14H2
InChIKeyJVPBJMYUBNLWGP-UHFFFAOYSA-N
MW439.51 g/mol
LogP3.73
Rot. Bonds5

About oxan-4-yl 4-[cyclopropyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]piperidine-1-carboxylate

oxan-4-yl 4-[cyclopropyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]piperidine-1-carboxylate (PubChem CID 73388333) has the molecular formula C24H29N3O5 and a molecular weight of 439.51 g/mol. Its IUPAC name is oxan-4-yl 4-[cyclopropyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameoxan-4-yl 4-[cyclopropyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]piperidine-1-carboxylate
PubChem CID73388333
Molecular FormulaC24H29N3O5
Molecular Weight439.51 g/mol
Exact Mass439.21
IUPAC Nameoxan-4-yl 4-[cyclopropyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]piperidine-1-carboxylate
SMILESO=C(OC1CCOCC1)N1CCC(N(C(=O)c2ccc(-c3cnco3)cc2)C2CC2)CC1
InChIInChI=1S/C24H29N3O5/c28-23(18-3-1-17(2-4-18)22-15-25-16-31-22)27(19-5-6-19)20-7-11-26(12-8-20)24(29)32-21-9-13-30-14-10-21/h1-4,15-16,19-21H,5-14H2
InChIKeyJVPBJMYUBNLWGP-UHFFFAOYSA-N
XLogP3.73
TPSA85.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.51
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of oxan-4-yl 4-[cyclopropyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]piperidine-1-carboxylate?
The IUPAC name of oxan-4-yl 4-[cyclopropyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]piperidine-1-carboxylate (CID 73388333) is oxan-4-yl 4-[cyclopropyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for oxan-4-yl 4-[cyclopropyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]piperidine-1-carboxylate?
The canonical SMILES for oxan-4-yl 4-[cyclopropyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]piperidine-1-carboxylate is O=C(OC1CCOCC1)N1CCC(N(C(=O)c2ccc(-c3cnco3)cc2)C2CC2)CC1.
What is the InChIKey of oxan-4-yl 4-[cyclopropyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]piperidine-1-carboxylate?
The InChIKey is JVPBJMYUBNLWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O5/c28-23(18-3-1-17(2-4-18)22-15-25-16-31-22)27(19-5-6-19)20-7-11-26(12-8-20)24(29)32-21-9-13-30-14-10-21/h1-4,15-16,19-21H,5-14H2.
What are the key properties of oxan-4-yl 4-[cyclopropyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]piperidine-1-carboxylate?
oxan-4-yl 4-[cyclopropyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]piperidine-1-carboxylate has a molecular weight of 439.51 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-yl 4-[cyclopropyl-[4-(1,3-oxazol-5-yl)benzoyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 73388333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).