4-[cyclopropyl-[5-(1,3-oxazol-5-yl)pyrimidine-2-carbonyl]amino]piperidine-1-carboxylic acid

C17H19N5O4 — CID 122552935

IUPAC4-[cyclopropyl-[5-(1,3-oxazol-5-yl)pyrimidine-2-carbonyl]amino]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(N(C(=O)c2ncc(-c3cnco3)cn2)C2CC2)CC1
InChIInChI=1S/C17H19N5O4/c23-16(15-19-7-11(8-20-15)14-9-18-10-26-14)22(12-1-2-12)13-3-5-21(6-4-13)17(24)25/h7-10,12-13H,1-6H2,(H,24,25)
InChIKeyOYVILLIVQOPHPV-UHFFFAOYSA-N
MW357.37 g/mol
LogP1.88
Rot. Bonds4

About 4-[cyclopropyl-[5-(1,3-oxazol-5-yl)pyrimidine-2-carbonyl]amino]piperidine-1-carboxylic acid

4-[cyclopropyl-[5-(1,3-oxazol-5-yl)pyrimidine-2-carbonyl]amino]piperidine-1-carboxylic acid (PubChem CID 122552935) has the molecular formula C17H19N5O4 and a molecular weight of 357.37 g/mol. Its IUPAC name is 4-[cyclopropyl-[5-(1,3-oxazol-5-yl)pyrimidine-2-carbonyl]amino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[cyclopropyl-[5-(1,3-oxazol-5-yl)pyrimidine-2-carbonyl]amino]piperidine-1-carboxylic acid
PubChem CID122552935
Molecular FormulaC17H19N5O4
Molecular Weight357.37 g/mol
Exact Mass357.14
IUPAC Name4-[cyclopropyl-[5-(1,3-oxazol-5-yl)pyrimidine-2-carbonyl]amino]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(N(C(=O)c2ncc(-c3cnco3)cn2)C2CC2)CC1
InChIInChI=1S/C17H19N5O4/c23-16(15-19-7-11(8-20-15)14-9-18-10-26-14)22(12-1-2-12)13-3-5-21(6-4-13)17(24)25/h7-10,12-13H,1-6H2,(H,24,25)
InChIKeyOYVILLIVQOPHPV-UHFFFAOYSA-N
XLogP1.88
TPSA112.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl-[5-(1,3-oxazol-5-yl)pyrimidine-2-carbonyl]amino]piperidine-1-carboxylic acid?
The IUPAC name of 4-[cyclopropyl-[5-(1,3-oxazol-5-yl)pyrimidine-2-carbonyl]amino]piperidine-1-carboxylic acid (CID 122552935) is 4-[cyclopropyl-[5-(1,3-oxazol-5-yl)pyrimidine-2-carbonyl]amino]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[cyclopropyl-[5-(1,3-oxazol-5-yl)pyrimidine-2-carbonyl]amino]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[cyclopropyl-[5-(1,3-oxazol-5-yl)pyrimidine-2-carbonyl]amino]piperidine-1-carboxylic acid is O=C(O)N1CCC(N(C(=O)c2ncc(-c3cnco3)cn2)C2CC2)CC1.
What is the InChIKey of 4-[cyclopropyl-[5-(1,3-oxazol-5-yl)pyrimidine-2-carbonyl]amino]piperidine-1-carboxylic acid?
The InChIKey is OYVILLIVQOPHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O4/c23-16(15-19-7-11(8-20-15)14-9-18-10-26-14)22(12-1-2-12)13-3-5-21(6-4-13)17(24)25/h7-10,12-13H,1-6H2,(H,24,25).
What are the key properties of 4-[cyclopropyl-[5-(1,3-oxazol-5-yl)pyrimidine-2-carbonyl]amino]piperidine-1-carboxylic acid?
4-[cyclopropyl-[5-(1,3-oxazol-5-yl)pyrimidine-2-carbonyl]amino]piperidine-1-carboxylic acid has a molecular weight of 357.37 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl-[5-(1,3-oxazol-5-yl)pyrimidine-2-carbonyl]amino]piperidine-1-carboxylic acid is sourced from PubChem (CID 122552935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).