4-(4-cyano-2-cyclopropyl-1,3-oxazol-5-yl)-N-[(2-methylcyclopropyl)methyl]piperazine-1-carboxamide

C17H23N5O2 — CID 53497917

IUPAC4-(4-cyano-2-cyclopropyl-1,3-oxazol-5-yl)-N-[(2-methylcyclopropyl)methyl]piperazine-1-carboxamide
SMILESCC1CC1CNC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1
InChIInChI=1S/C17H23N5O2/c1-11-8-13(11)10-19-17(23)22-6-4-21(5-7-22)16-14(9-18)20-15(24-16)12-2-3-12/h11-13H,2-8,10H2,1H3,(H,19,23)
InChIKeyJOAAVJRCVSUFLC-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.91
Rot. Bonds4

About 4-(4-cyano-2-cyclopropyl-1,3-oxazol-5-yl)-N-[(2-methylcyclopropyl)methyl]piperazine-1-carboxamide

4-(4-cyano-2-cyclopropyl-1,3-oxazol-5-yl)-N-[(2-methylcyclopropyl)methyl]piperazine-1-carboxamide (PubChem CID 53497917) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 4-(4-cyano-2-cyclopropyl-1,3-oxazol-5-yl)-N-[(2-methylcyclopropyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-cyano-2-cyclopropyl-1,3-oxazol-5-yl)-N-[(2-methylcyclopropyl)methyl]piperazine-1-carboxamide
PubChem CID53497917
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name4-(4-cyano-2-cyclopropyl-1,3-oxazol-5-yl)-N-[(2-methylcyclopropyl)methyl]piperazine-1-carboxamide
SMILESCC1CC1CNC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1
InChIInChI=1S/C17H23N5O2/c1-11-8-13(11)10-19-17(23)22-6-4-21(5-7-22)16-14(9-18)20-15(24-16)12-2-3-12/h11-13H,2-8,10H2,1H3,(H,19,23)
InChIKeyJOAAVJRCVSUFLC-UHFFFAOYSA-N
XLogP1.91
TPSA85.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyano-2-cyclopropyl-1,3-oxazol-5-yl)-N-[(2-methylcyclopropyl)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-(4-cyano-2-cyclopropyl-1,3-oxazol-5-yl)-N-[(2-methylcyclopropyl)methyl]piperazine-1-carboxamide (CID 53497917) is 4-(4-cyano-2-cyclopropyl-1,3-oxazol-5-yl)-N-[(2-methylcyclopropyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-cyano-2-cyclopropyl-1,3-oxazol-5-yl)-N-[(2-methylcyclopropyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(4-cyano-2-cyclopropyl-1,3-oxazol-5-yl)-N-[(2-methylcyclopropyl)methyl]piperazine-1-carboxamide is CC1CC1CNC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1.
What is the InChIKey of 4-(4-cyano-2-cyclopropyl-1,3-oxazol-5-yl)-N-[(2-methylcyclopropyl)methyl]piperazine-1-carboxamide?
The InChIKey is JOAAVJRCVSUFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-11-8-13(11)10-19-17(23)22-6-4-21(5-7-22)16-14(9-18)20-15(24-16)12-2-3-12/h11-13H,2-8,10H2,1H3,(H,19,23).
What are the key properties of 4-(4-cyano-2-cyclopropyl-1,3-oxazol-5-yl)-N-[(2-methylcyclopropyl)methyl]piperazine-1-carboxamide?
4-(4-cyano-2-cyclopropyl-1,3-oxazol-5-yl)-N-[(2-methylcyclopropyl)methyl]piperazine-1-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyano-2-cyclopropyl-1,3-oxazol-5-yl)-N-[(2-methylcyclopropyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 53497917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).