5-cyclopropyl-N-[1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)piperidin-4-yl]-1,2-oxazole-3-carboxamide

C18H23N5O4 — CID 154831088

IUPAC5-cyclopropyl-N-[1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)piperidin-4-yl]-1,2-oxazole-3-carboxamide
SMILESCn1cc(N2CCC(NC(=O)c3cc(C4CC4)on3)CC2)c(=O)n(C)c1=O
InChIInChI=1S/C18H23N5O4/c1-21-10-14(17(25)22(2)18(21)26)23-7-5-12(6-8-23)19-16(24)13-9-15(27-20-13)11-3-4-11/h9-12H,3-8H2,1-2H3,(H,19,24)
InChIKeyUDYAUQUYAWBJMC-UHFFFAOYSA-N
MW373.41 g/mol
LogP0.35
Rot. Bonds4

About 5-cyclopropyl-N-[1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)piperidin-4-yl]-1,2-oxazole-3-carboxamide

5-cyclopropyl-N-[1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)piperidin-4-yl]-1,2-oxazole-3-carboxamide (PubChem CID 154831088) has the molecular formula C18H23N5O4 and a molecular weight of 373.41 g/mol. Its IUPAC name is 5-cyclopropyl-N-[1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)piperidin-4-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)piperidin-4-yl]-1,2-oxazole-3-carboxamide
PubChem CID154831088
Molecular FormulaC18H23N5O4
Molecular Weight373.41 g/mol
Exact Mass373.18
IUPAC Name5-cyclopropyl-N-[1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)piperidin-4-yl]-1,2-oxazole-3-carboxamide
SMILESCn1cc(N2CCC(NC(=O)c3cc(C4CC4)on3)CC2)c(=O)n(C)c1=O
InChIInChI=1S/C18H23N5O4/c1-21-10-14(17(25)22(2)18(21)26)23-7-5-12(6-8-23)19-16(24)13-9-15(27-20-13)11-3-4-11/h9-12H,3-8H2,1-2H3,(H,19,24)
InChIKeyUDYAUQUYAWBJMC-UHFFFAOYSA-N
XLogP0.35
TPSA102.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)piperidin-4-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)piperidin-4-yl]-1,2-oxazole-3-carboxamide (CID 154831088) is 5-cyclopropyl-N-[1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)piperidin-4-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)piperidin-4-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)piperidin-4-yl]-1,2-oxazole-3-carboxamide is Cn1cc(N2CCC(NC(=O)c3cc(C4CC4)on3)CC2)c(=O)n(C)c1=O.
What is the InChIKey of 5-cyclopropyl-N-[1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)piperidin-4-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is UDYAUQUYAWBJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O4/c1-21-10-14(17(25)22(2)18(21)26)23-7-5-12(6-8-23)19-16(24)13-9-15(27-20-13)11-3-4-11/h9-12H,3-8H2,1-2H3,(H,19,24).
What are the key properties of 5-cyclopropyl-N-[1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)piperidin-4-yl]-1,2-oxazole-3-carboxamide?
5-cyclopropyl-N-[1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)piperidin-4-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 373.41 g/mol, XLogP of 0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)piperidin-4-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 154831088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).